5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

C18H23N3O — CID 109181676

IUPAC5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-5-14(4)20-15-8-9-16(19-11-15)18(22)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3,(H,21,22)
InChIKeyWBZHQDGKTPUYON-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds5

About 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109181676) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109181676
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(C)ccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-5-14(4)20-15-8-9-16(19-11-15)18(22)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3,(H,21,22)
InChIKeyWBZHQDGKTPUYON-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109181762

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (CID 109181676) is 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2cc(C)ccc2C)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is WBZHQDGKTPUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-14(4)20-15-8-9-16(19-11-15)18(22)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3,(H,21,22).
What are the key properties of 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).