N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide

C16H20N4O — CID 163357560

IUPACN-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1cccc(N2CCC(NC(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H20N4O/c17-11-14-5-2-6-15(18-14)20-9-7-13(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,12-13H,1,3-4,7-10H2,(H,19,21)
InChIKeyVJTMJNJEBDFRCM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 163357560) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID163357560
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESN#Cc1cccc(N2CCC(NC(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H20N4O/c17-11-14-5-2-6-15(18-14)20-9-7-13(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,12-13H,1,3-4,7-10H2,(H,19,21)
InChIKeyVJTMJNJEBDFRCM-UHFFFAOYSA-N
XLogP1.84
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
CID 133392231
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356309
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 133392211
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133304422
6-[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72838338

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide (CID 163357560) is N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide is N#Cc1cccc(N2CCC(NC(=O)C3CCC3)CC2)n1.
What is the InChIKey of N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is VJTMJNJEBDFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-11-14-5-2-6-15(18-14)20-9-7-13(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,12-13H,1,3-4,7-10H2,(H,19,21).
What are the key properties of N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 163357560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).