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

C19H16ClN5O2 — CID 109268731

IUPAC2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)23-16-6-3-7-17(9-16)25-19-21-10-13(11-22-19)18(27)24-15-5-2-4-14(20)8-15/h2-11H,1H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyQULNYTIDWNAWQD-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.08
Rot. Bonds5

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

2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268731) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
PubChem CID109268731
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)23-16-6-3-7-17(9-16)25-19-21-10-13(11-22-19)18(27)24-15-5-2-4-14(20)8-15/h2-11H,1H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyQULNYTIDWNAWQD-UHFFFAOYSA-N
XLogP4.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (CID 109268731) is 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is CC(=O)Nc1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is QULNYTIDWNAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-12(26)23-16-6-3-7-17(9-16)25-19-21-10-13(11-22-19)18(27)24-15-5-2-4-14(20)8-15/h2-11H,1H3,(H,23,26)(H,24,27)(H,21,22,25).
What are the key properties of 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).