N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

C19H17ClN4O3 — CID 109269304

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H17ClN4O3/c1-26-15-6-3-13(4-7-15)24-19-21-10-12(11-22-19)18(25)23-14-5-8-17(27-2)16(20)9-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZUPSIEBIKWWIRS-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269304) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269304
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H17ClN4O3/c1-26-15-6-3-13(4-7-15)24-19-21-10-12(11-22-19)18(25)23-14-5-8-17(27-2)16(20)9-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZUPSIEBIKWWIRS-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269153
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (CID 109269304) is N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)cn2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is ZUPSIEBIKWWIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-15-6-3-13(4-7-15)24-19-21-10-12(11-22-19)18(25)23-14-5-8-17(27-2)16(20)9-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).