6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide

C18H19N5O — CID 124752431

IUPAC6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H19N5O/c19-10-16-7-6-15(12-21-16)18(24)22-11-14-4-3-9-23(13-14)17-5-1-2-8-20-17/h1-2,5-8,12,14H,3-4,9,11,13H2,(H,22,24)/t14-/m0/s1
InChIKeyJLARXTMZTIDLDN-AWEZNQCLSA-N
MW321.38 g/mol
LogP1.99
Rot. Bonds4

About 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide

6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 124752431) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID124752431
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H19N5O/c19-10-16-7-6-15(12-21-16)18(24)22-11-14-4-3-9-23(13-14)17-5-1-2-8-20-17/h1-2,5-8,12,14H,3-4,9,11,13H2,(H,22,24)/t14-/m0/s1
InChIKeyJLARXTMZTIDLDN-AWEZNQCLSA-N
XLogP1.99
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
CID 45214399
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
tert-butyl N-[[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methyl]carbamate
CID 91646940
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 118773668
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 99855098
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide (CID 124752431) is 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide is N#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cn1.
What is the InChIKey of 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JLARXTMZTIDLDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c19-10-16-7-6-15(12-21-16)18(24)22-11-14-4-3-9-23(13-14)17-5-1-2-8-20-17/h1-2,5-8,12,14H,3-4,9,11,13H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 124752431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).