N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

C18H15ClN4O2 — CID 109268715

IUPACN-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-3-2-7-15(16)23-18-20-10-12(11-21-18)17(24)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyNHPBYNJOCACKDE-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109268715) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109268715
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-3-2-7-15(16)23-18-20-10-12(11-21-18)17(24)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyNHPBYNJOCACKDE-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (CID 109268715) is N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is COc1ccccc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is NHPBYNJOCACKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-8-3-2-7-15(16)23-18-20-10-12(11-21-18)17(24)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).