[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid

C15H16N6O2 — CID 118020403

IUPAC[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid
SMILESN#Cc1ccc(N2CCC(c3cc(NC(=O)O)n[nH]3)CC2)nc1
InChIInChI=1S/C15H16N6O2/c16-8-10-1-2-14(17-9-10)21-5-3-11(4-6-21)12-7-13(20-19-12)18-15(22)23/h1-2,7,9,11H,3-6H2,(H,22,23)(H2,18,19,20)
InChIKeyCTMYRZZGYOKAHP-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.15
Rot. Bonds3

About [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid

[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid (PubChem CID 118020403) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid
PubChem CID118020403
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid
SMILESN#Cc1ccc(N2CCC(c3cc(NC(=O)O)n[nH]3)CC2)nc1
InChIInChI=1S/C15H16N6O2/c16-8-10-1-2-14(17-9-10)21-5-3-11(4-6-21)12-7-13(20-19-12)18-15(22)23/h1-2,7,9,11H,3-6H2,(H,22,23)(H2,18,19,20)
InChIKeyCTMYRZZGYOKAHP-UHFFFAOYSA-N
XLogP2.15
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727

Frequently Asked Questions

What is the IUPAC name of [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid?
The IUPAC name of [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid (CID 118020403) is [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid.
What is the SMILES notation for [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid?
The canonical SMILES for [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid is N#Cc1ccc(N2CCC(c3cc(NC(=O)O)n[nH]3)CC2)nc1.
What is the InChIKey of [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid?
The InChIKey is CTMYRZZGYOKAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c16-8-10-1-2-14(17-9-10)21-5-3-11(4-6-21)12-7-13(20-19-12)18-15(22)23/h1-2,7,9,11H,3-6H2,(H,22,23)(H2,18,19,20).
What are the key properties of [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid?
[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid has a molecular weight of 312.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 118020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).