N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide

C18H22ClN3O3 — CID 109165879

IUPACN-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O3/c1-5-11(2)21-18(23)12-6-7-20-17(8-12)22-14-10-15(24-3)13(19)9-16(14)25-4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYYWSUQZMULMFMZ-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.02
Rot. Bonds7

About N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide

N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109165879) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
PubChem CID109165879
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O3/c1-5-11(2)21-18(23)12-6-7-20-17(8-12)22-14-10-15(24-3)13(19)9-16(14)25-4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYYWSUQZMULMFMZ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112883652
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide (CID 109165879) is N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is YYWSUQZMULMFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-5-11(2)21-18(23)12-6-7-20-17(8-12)22-14-10-15(24-3)13(19)9-16(14)25-4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide?
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109165879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).