6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide

C16H20N4O2 — CID 118773668

IUPAC6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-18-15(21)12-4-2-11(3-5-12)9-20-16(22)13-6-7-14(8-17)19-10-13/h6-7,10-12H,2-5,9H2,1H3,(H,18,21)(H,20,22)
InChIKeyWACLDKDTMFOQIM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.24
Rot. Bonds4

About 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide

6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide (PubChem CID 118773668) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide
PubChem CID118773668
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-18-15(21)12-4-2-11(3-5-12)9-20-16(22)13-6-7-14(8-17)19-10-13/h6-7,10-12H,2-5,9H2,1H3,(H,18,21)(H,20,22)
InChIKeyWACLDKDTMFOQIM-UHFFFAOYSA-N
XLogP1.24
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
6-cyano-N-[(1R,2R,5S)-5-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]pyridine-3-carboxamide
CID 156584810
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane
CID 145308024
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
6-cyano-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 90652722

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide (CID 118773668) is 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide is CNC(=O)C1CCC(CNC(=O)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The InChIKey is WACLDKDTMFOQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18-15(21)12-4-2-11(3-5-12)9-20-16(22)13-6-7-14(8-17)19-10-13/h6-7,10-12H,2-5,9H2,1H3,(H,18,21)(H,20,22).
What are the key properties of 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide?
6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118773668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).