N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

C16H13N3O — CID 62880545

IUPACN-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H13N3O/c17-10-12-6-7-14(18-11-12)19-15(20)16(8-9-16)13-4-2-1-3-5-13/h1-7,11H,8-9H2,(H,18,19,20)
InChIKeyWZMSSPSGXWXFHO-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.62
Rot. Bonds3

About N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 62880545) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID62880545
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H13N3O/c17-10-12-6-7-14(18-11-12)19-15(20)16(8-9-16)13-4-2-1-3-5-13/h1-7,11H,8-9H2,(H,18,19,20)
InChIKeyWZMSSPSGXWXFHO-UHFFFAOYSA-N
XLogP2.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
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phenyl N-(5-cyano-2-pyridinyl)carbamate
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2-chloro-N-(5-cyano-2-pyridinyl)acetamide
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6-[5-(1-phenylcyclopropanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
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N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (CID 62880545) is N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is N#Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WZMSSPSGXWXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-10-12-6-7-14(18-11-12)19-15(20)16(8-9-16)13-4-2-1-3-5-13/h1-7,11H,8-9H2,(H,18,19,20).
What are the key properties of N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 62880545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).