6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide

C18H23N3O — CID 109151952

IUPAC6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-4-13(2)20-17-11-10-16(12-19-17)18(22)21-14(3)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJRLLBHCJSKKERL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds6

About 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide

6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109151952) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109151952
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-4-13(2)20-17-11-10-16(12-19-17)18(22)21-14(3)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJRLLBHCJSKKERL-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-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109151952) is 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide is CCC(C)Nc1ccc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is JRLLBHCJSKKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-13(2)20-17-11-10-16(12-19-17)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 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide?
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-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 6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).