1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide

C19H27N5O — CID 166298734

IUPAC1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
SMILESCNC1CCC(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C19H27N5O/c1-21-16-3-5-17(6-4-16)23-19(25)15-8-10-24(11-9-15)18-7-2-14(12-20)13-22-18/h2,7,13,15-17,21H,3-6,8-11H2,1H3,(H,23,25)
InChIKeyAVOHLFYJBMEGHB-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.82
Rot. Bonds4

About 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide (PubChem CID 166298734) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
PubChem CID166298734
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
SMILESCNC1CCC(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C19H27N5O/c1-21-16-3-5-17(6-4-16)23-19(25)15-8-10-24(11-9-15)18-7-2-14(12-20)13-22-18/h2,7,13,15-17,21H,3-6,8-11H2,1H3,(H,23,25)
InChIKeyAVOHLFYJBMEGHB-UHFFFAOYSA-N
XLogP1.82
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588026
4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942289
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 16600536
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide (CID 166298734) is 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide is CNC1CCC(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is AVOHLFYJBMEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-21-16-3-5-17(6-4-16)23-19(25)15-8-10-24(11-9-15)18-7-2-14(12-20)13-22-18/h2,7,13,15-17,21H,3-6,8-11H2,1H3,(H,23,25).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 166298734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).