N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide

C19H31N3O2 — CID 56701806

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESCN1CCC=C(CN(C[C@@H]2CCC(=O)N2)C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-21-11-5-6-15(12-21)13-22(14-17-9-10-18(23)20-17)19(24)16-7-3-2-4-8-16/h6,16-17H,2-5,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWGZVBGDOHLQFIE-KRWDZBQOSA-N
MW333.48 g/mol
LogP1.94
Rot. Bonds5

About N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide

N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 56701806) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide
PubChem CID56701806
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESCN1CCC=C(CN(C[C@@H]2CCC(=O)N2)C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-21-11-5-6-15(12-21)13-22(14-17-9-10-18(23)20-17)19(24)16-7-3-2-4-8-16/h6,16-17H,2-5,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWGZVBGDOHLQFIE-KRWDZBQOSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.94
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

N-[(1-{2-[(aminocarbonyl)amino]ethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-methylcyclohexanecarboxamide
CID 50956723
(2S,4S)-4-[(cyclohexylcarbonyl)amino]-N-ethyl-1-methyl-N-(2-methylprop-2-en-1-yl)pyrrolidine-2-carboxamide
CID 56713954
N-[(3aR,4S,7S,7aR)-2,6-dimethyl-7-(3-methylbut-2-enyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 139190727
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45205673
(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 51583259
(2S,4S)-4-Amino-1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-EN-2-YL]methyl}-N-isopropylpyrrolidine-2-carboxamide
CID 56700997
2-cyclohex-1-en-1-yl-N-[(1-isopropylpyrrolidin-3-yl)methyl]acetamide
CID 56710208
(2S,4S)-4-amino-1-(cyclohex-1-en-1-ylacetyl)-N-ethylpyrrolidine-2-carboxamide
CID 56712242
(2S,4S)-4-amino-N-ethyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 56714127
N-[(3S,4R)-1-acetyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 91923208
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 54190785
(6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 70401961

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide (CID 56701806) is N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide is CN1CCC=C(CN(C[C@@H]2CCC(=O)N2)C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is WGZVBGDOHLQFIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-21-11-5-6-15(12-21)13-22(14-17-9-10-18(23)20-17)19(24)16-7-3-2-4-8-16/h6,16-17H,2-5,7-14H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 56701806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).