N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide

C20H18ClN3O3 — CID 109177506

IUPACN-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1OC
InChIInChI=1S/C20H18ClN3O3/c1-26-17-8-7-16(12-18(17)27-2)23-19-11-13(9-10-22-19)20(25)24-15-5-3-14(21)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyMCBGHDQCVZBOIZ-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.75
Rot. Bonds6

About N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide

N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109177506) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
PubChem CID109177506
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1OC
InChIInChI=1S/C20H18ClN3O3/c1-26-17-8-7-16(12-18(17)27-2)23-19-11-13(9-10-22-19)20(25)24-15-5-3-14(21)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyMCBGHDQCVZBOIZ-UHFFFAOYSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (CID 109177506) is N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is MCBGHDQCVZBOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-17-8-7-16(12-18(17)27-2)23-19-11-13(9-10-22-19)20(25)24-15-5-3-14(21)4-6-15/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).