5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide

C18H22ClN3O3 — CID 109181762

IUPAC5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc1
InChIInChI=1S/C18H22ClN3O3/c1-5-11(2)21-12-6-7-14(20-10-12)18(23)22-15-9-16(24-3)13(19)8-17(15)25-4/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyJTIZLQCMPVHJNR-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.21
Rot. Bonds7

About 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide

5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109181762) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109181762
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc1
InChIInChI=1S/C18H22ClN3O3/c1-5-11(2)21-12-6-7-14(20-10-12)18(23)22-15-9-16(24-3)13(19)8-17(15)25-4/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyJTIZLQCMPVHJNR-UHFFFAOYSA-N
XLogP4.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
N-(2,5-dimethoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179771
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 109181762) is 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is JTIZLQCMPVHJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-5-11(2)21-12-6-7-14(20-10-12)18(23)22-15-9-16(24-3)13(19)8-17(15)25-4/h6-11,21H,5H2,1-4H3,(H,22,23).
What are the key properties of 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).