1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide

C16H16N2O — CID 31809591

IUPAC1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H16N2O/c19-15(18-14-8-4-11-17-12-14)16(9-5-10-16)13-6-2-1-3-7-13/h1-4,6-8,11-12H,5,9-10H2,(H,18,19)
InChIKeyNQVWNSRRDGIRHS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

About 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide

1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide (PubChem CID 31809591) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
PubChem CID31809591
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccnc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H16N2O/c19-15(18-14-8-4-11-17-12-14)16(9-5-10-16)13-6-2-1-3-7-13/h1-4,6-8,11-12H,5,9-10H2,(H,18,19)
InChIKeyNQVWNSRRDGIRHS-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 167881675
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-(2-oxo-1,3-dihydroindol-5-yl)-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 166292626
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473533
1-[4-(pyridin-3-ylmethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 82539424

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide (CID 31809591) is 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide is O=C(Nc1cccnc1)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide?
The InChIKey is NQVWNSRRDGIRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15(18-14-8-4-11-17-12-14)16(9-5-10-16)13-6-2-1-3-7-13/h1-4,6-8,11-12H,5,9-10H2,(H,18,19).
What are the key properties of 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide?
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 31809591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).