3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine

C120H153N24O2+ — CID 157227921

IUPAC3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
SMILESC1=CCC(c2cccnc2)NC1.CN1C(=O)CC[C@H]1c1cccnc1.CN1CC=CCC1c1cccnc1.CN1CCCC1c1cccnc1.CN1CCCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.CNCCC=Cc1cccnc1.C[N+]1(O)CCC[C@H]1c1cccnc1.Cn1cccc1-c1cccnc1.c1cncc(-c2ccc[nH]2)c1.c1cncc(C2=NCCC2)c1.c1cncc(C2CCCCN2)c1
InChIInChI=1S/C11H16N2.C11H14N2.C10H15N2O.C10H12N2O.2C10H14N2.C10H10N2.C10H14N2.C10H12N2.C10H14N2.C9H10N2.C9H8N2/c2*1-13-8-3-2-6-11(13)10-5-4-7-12-9-10;1-12(13)7-3-5-10(12)9-4-2-6-11-8-9;1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;3*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-11-7-3-2-5-10-6-4-8-12-9-10;2*1-3-8(7-10-5-1)9-4-2-6-11-9/h4-5,7,9,11H,2-3,6,8H2,1H3;2-5,7,9,11H,6,8H2,1H3;2,4,6,8,10,13H,3,5,7H2,1H3;2-3,6-7,9H,4-5H2,1H3;2*2,4,6,8,10H,3,5,7H2,1H3;2-8H,1H3;3-4,6,8,10,12H,1-2,5,7H2;1-4,6,8,10,12H,5,7H2;2,4-6,8-9,11H,3,7H2,1H3;1,3,5,7H,2,4,6H2;1-7,11H/q;;+1;;;;;;;;;/t;;10-,12?;9-;10-;;;;;;;/m..000......./s1
InChIKeyUKXHKICTTHPSBG-VMFQCRLDSA-N
MW1963.71 g/mol
LogP22.18
Rot. Bonds15

About 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine

3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine (PubChem CID 157227921) has the molecular formula C120H153N24O2+ and a molecular weight of 1963.71 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
PubChem CID157227921
Molecular FormulaC120H153N24O2+
Molecular Weight1963.71 g/mol
Exact Mass1962.26
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
SMILESC1=CCC(c2cccnc2)NC1.CN1C(=O)CC[C@H]1c1cccnc1.CN1CC=CCC1c1cccnc1.CN1CCCC1c1cccnc1.CN1CCCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.CNCCC=Cc1cccnc1.C[N+]1(O)CCC[C@H]1c1cccnc1.Cn1cccc1-c1cccnc1.c1cncc(-c2ccc[nH]2)c1.c1cncc(C2=NCCC2)c1.c1cncc(C2CCCCN2)c1
InChIInChI=1S/C11H16N2.C11H14N2.C10H15N2O.C10H12N2O.2C10H14N2.C10H10N2.C10H14N2.C10H12N2.C10H14N2.C9H10N2.C9H8N2/c2*1-13-8-3-2-6-11(13)10-5-4-7-12-9-10;1-12(13)7-3-5-10(12)9-4-2-6-11-8-9;1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;3*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-11-7-3-2-5-10-6-4-8-12-9-10;2*1-3-8(7-10-5-1)9-4-2-6-11-9/h4-5,7,9,11H,2-3,6,8H2,1H3;2-5,7,9,11H,6,8H2,1H3;2,4,6,8,10,13H,3,5,7H2,1H3;2-3,6-7,9H,4-5H2,1H3;2*2,4,6,8,10H,3,5,7H2,1H3;2-8H,1H3;3-4,6,8,10,12H,1-2,5,7H2;1-4,6,8,10,12H,5,7H2;2,4-6,8-9,11H,3,7H2,1H3;1,3,5,7H,2,4,6H2;1-7,11H/q;;+1;;;;;;;;;/t;;10-,12?;9-;10-;;;;;;;/m..000......./s1
InChIKeyUKXHKICTTHPSBG-VMFQCRLDSA-N
XLogP22.18
TPSA277.35 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.71
LogP ≤ 522.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine (CID 157227921) is 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine is C1=CCC(c2cccnc2)NC1.CN1C(=O)CC[C@H]1c1cccnc1.CN1CC=CCC1c1cccnc1.CN1CCCC1c1cccnc1.CN1CCCCC1c1cccnc1.CN1CCC[C@H]1c1cccnc1.CNCCC=Cc1cccnc1.C[N+]1(O)CCC[C@H]1c1cccnc1.Cn1cccc1-c1cccnc1.c1cncc(-c2ccc[nH]2)c1.c1cncc(C2=NCCC2)c1.c1cncc(C2CCCCN2)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The InChIKey is UKXHKICTTHPSBG-VMFQCRLDSA-N. The full InChI is InChI=1S/C11H16N2.C11H14N2.C10H15N2O.C10H12N2O.2C10H14N2.C10H10N2.C10H14N2.C10H12N2.C10H14N2.C9H10N2.C9H8N2/c2*1-13-8-3-2-6-11(13)10-5-4-7-12-9-10;1-12(13)7-3-5-10(12)9-4-2-6-11-8-9;1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;3*1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-11-7-3-2-5-10-6-4-8-12-9-10;2*1-3-8(7-10-5-1)9-4-2-6-11-9/h4-5,7,9,11H,2-3,6,8H2,1H3;2-5,7,9,11H,6,8H2,1H3;2,4,6,8,10,13H,3,5,7H2,1H3;2-3,6-7,9H,4-5H2,1H3;2*2,4,6,8,10H,3,5,7H2,1H3;2-8H,1H3;3-4,6,8,10,12H,1-2,5,7H2;1-4,6,8,10,12H,5,7H2;2,4-6,8-9,11H,3,7H2,1H3;1,3,5,7H,2,4,6H2;1-7,11H/q;;+1;;;;;;;;;/t;;10-,12?;9-;10-;;;;;;;/m..000......./s1.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine has a molecular weight of 1963.71 g/mol, XLogP of 22.18, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;3-[(2S)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pyridine;3-(1-methylpiperidin-2-yl)pyridine;N-methyl-4-pyridin-3-ylbut-3-en-1-amine;(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-(1-methylpyrrol-2-yl)pyridine;3-piperidin-2-ylpyridine;3-(1H-pyrrol-2-yl)pyridine;3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine is sourced from PubChem (CID 157227921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).