2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide

C18H23N3O — CID 109165889

IUPAC2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-4-13(2)20-17-12-16(10-11-19-17)18(22)21-14(3)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJBWWBRDSOJNKGW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide

2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 109165889) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID109165889
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-4-13(2)20-17-12-16(10-11-19-17)18(22)21-14(3)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJBWWBRDSOJNKGW-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84574553
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 109165889) is 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide is CCC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ccn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is JBWWBRDSOJNKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-13(2)20-17-12-16(10-11-19-17)18(22)21-14(3)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).