N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109317290

IUPACN-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-6-7-14(11-16(12)20)22-18(25)17-8-9-21-19(24-17)23-13-4-3-5-15(10-13)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyLUNDNPDAONZOJV-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317290) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317290
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-6-7-14(11-16(12)20)22-18(25)17-8-9-21-19(24-17)23-13-4-3-5-15(10-13)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyLUNDNPDAONZOJV-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109317290) is N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LUNDNPDAONZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-6-7-14(11-16(12)20)22-18(25)17-8-9-21-19(24-17)23-13-4-3-5-15(10-13)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).