N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide

C19H24ClN3O3 — CID 109217484

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NCCC(C)C)ccn2)c(OC)cc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-12(2)5-7-21-13-6-8-22-16(9-13)19(24)23-15-11-17(25-3)14(20)10-18(15)26-4/h6,8-12H,5,7H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyAXMOHTZGZQZTKE-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.46
Rot. Bonds8

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109217484) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109217484
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NCCC(C)C)ccn2)c(OC)cc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-12(2)5-7-21-13-6-8-22-16(9-13)19(24)23-15-11-17(25-3)14(20)10-18(15)26-4/h6,8-12H,5,7H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyAXMOHTZGZQZTKE-UHFFFAOYSA-N
XLogP4.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296875
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109181762
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide (CID 109217484) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(NCCC(C)C)ccn2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is AXMOHTZGZQZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12(2)5-7-21-13-6-8-22-16(9-13)19(24)23-15-11-17(25-3)14(20)10-18(15)26-4/h6,8-12H,5,7H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).