2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide

C19H17N5O2 — CID 109313556

IUPAC2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyWAVYHQSKQYISGK-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313556) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313556
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyWAVYHQSKQYISGK-UHFFFAOYSA-N
XLogP3.43
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313556) is 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WAVYHQSKQYISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).