4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide

C18H22ClN3O — CID 109203542

IUPAC4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-5-13(4)21-14-6-7-20-16(10-14)18(23)22-17-12(3)8-11(2)9-15(17)19/h6-10,13H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyIMXIYVKXKWMSSG-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.81
Rot. Bonds5

About 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide

4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109203542) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109203542
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-5-13(4)21-14-6-7-20-16(10-14)18(23)22-17-12(3)8-11(2)9-15(17)19/h6-10,13H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyIMXIYVKXKWMSSG-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321297
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide (CID 109203542) is 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is IMXIYVKXKWMSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-5-13(4)21-14-6-7-20-16(10-14)18(23)22-17-12(3)8-11(2)9-15(17)19/h6-10,13H,5H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109203542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).