1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide

C18H18N4O — CID 21004405

IUPAC1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1cc(-c2ccccc2)cnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H18N4O/c19-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-8-6-14(7-9-22)17(20)23/h1-5,10,12,14H,6-9H2,(H2,20,23)
InChIKeyXFZIOWQIABNSDI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide

1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 21004405) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID21004405
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1cc(-c2ccccc2)cnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H18N4O/c19-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-8-6-14(7-9-22)17(20)23/h1-5,10,12,14H,6-9H2,(H2,20,23)
InChIKeyXFZIOWQIABNSDI-UHFFFAOYSA-N
XLogP2.32
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459
3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile
CID 167920312
[1-(5-amino-3-cyano-2-pyridinyl)piperidin-4-yl] benzoate
CID 125499447
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
5-bromo-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171995904
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
methyl 1-(4-carbamoylpiperidin-1-yl)isoquinoline-4-carboxylate
CID 22330783

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide (CID 21004405) is 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide is N#Cc1cc(-c2ccccc2)cnc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is XFZIOWQIABNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-11-15-10-16(13-4-2-1-3-5-13)12-21-18(15)22-8-6-14(7-9-22)17(20)23/h1-5,10,12,14H,6-9H2,(H2,20,23).
What are the key properties of 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide?
1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 21004405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).