1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine

C11H15N3 — CID 130877424

IUPAC1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1N1CC=CC1
InChIInChI=1S/C11H15N3/c1-12-8-10-4-5-13-9-11(10)14-6-2-3-7-14/h2-5,9,12H,6-8H2,1H3
InChIKeyWRNQQHNKLSMBEG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.18
Rot. Bonds3

About 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 130877424) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID130877424
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1N1CC=CC1
InChIInChI=1S/C11H15N3/c1-12-8-10-4-5-13-9-11(10)14-6-2-3-7-14/h2-5,9,12H,6-8H2,1H3
InChIKeyWRNQQHNKLSMBEG-UHFFFAOYSA-N
XLogP1.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 130643019
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073744
N-methyl-1-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methanamine
CID 105072686
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
CID 105074260
N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 81250152
1-[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073708
N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 105074738
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 130877424) is 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1N1CC=CC1.
What is the InChIKey of 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is WRNQQHNKLSMBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-12-8-10-4-5-13-9-11(10)14-6-2-3-7-14/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 189.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 130877424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).