6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide

C19H17N5O2 — CID 109355847

IUPAC6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C19H17N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h2-12H,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyQDGWKMYJTMLMOU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.43
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355847) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355847
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C19H17N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h2-12H,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyQDGWKMYJTMLMOU-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

6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359437
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355847) is 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is QDGWKMYJTMLMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h2-12H,1H3,(H,22,25)(H,24,26)(H,20,21,23).
What are the key properties of 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide?
6-(3-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 6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).