6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile

C17H17N3 — CID 133392449

IUPAC6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC(c2ccccc2)C2CCC2)n1
InChIInChI=1S/C17H17N3/c18-12-15-10-5-11-16(19-15)20-17(14-8-4-9-14)13-6-2-1-3-7-13/h1-3,5-7,10-11,14,17H,4,8-9H2,(H,19,20)
InChIKeyCSVFTXBXSDPTGP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.91
Rot. Bonds4

About 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile

6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133392449) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133392449
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC(c2ccccc2)C2CCC2)n1
InChIInChI=1S/C17H17N3/c18-12-15-10-5-11-16(19-15)20-17(14-8-4-9-14)13-6-2-1-3-7-13/h1-3,5-7,10-11,14,17H,4,8-9H2,(H,19,20)
InChIKeyCSVFTXBXSDPTGP-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 115766717
6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 133392698
2-[(6-cyano-2-pyridinyl)amino]-2-phenylacetamide
CID 133392006
6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 91770029
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile (CID 133392449) is 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC(c2ccccc2)C2CCC2)n1.
What is the InChIKey of 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is CSVFTXBXSDPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-12-15-10-5-11-16(19-15)20-17(14-8-4-9-14)13-6-2-1-3-7-13/h1-3,5-7,10-11,14,17H,4,8-9H2,(H,19,20).
What are the key properties of 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile?
6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).