N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide

C21H18ClN3O3 — CID 109245028

IUPACN-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)=O)cc3)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-18(12-23-11-15)24-17-7-8-20(28-2)19(22)10-17/h3-12,24H,1-2H3,(H,25,27)
InChIKeyFSGORBMFGQDNHN-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.94
Rot. Bonds6

About N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109245028) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
PubChem CID109245028
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)=O)cc3)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-18(12-23-11-15)24-17-7-8-20(28-2)19(22)10-17/h3-12,24H,1-2H3,(H,25,27)
InChIKeyFSGORBMFGQDNHN-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109243288
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide (CID 109245028) is N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)=O)cc3)c2)cc1Cl.
What is the InChIKey of N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is FSGORBMFGQDNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-18(12-23-11-15)24-17-7-8-20(28-2)19(22)10-17/h3-12,24H,1-2H3,(H,25,27).
What are the key properties of N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).