6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C21H21N5O3 — CID 109349018

IUPAC6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-16-7-5-8-17(10-16)26-20-11-18(23-13-24-20)21(28)22-12-15-6-3-4-9-19(15)29-2/h3-11,13H,12H2,1-2H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyXZRNRWFPCOURDK-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.12
Rot. Bonds7

About 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109349018) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109349018
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-16-7-5-8-17(10-16)26-20-11-18(23-13-24-20)21(28)22-12-15-6-3-4-9-19(15)29-2/h3-11,13H,12H2,1-2H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyXZRNRWFPCOURDK-UHFFFAOYSA-N
XLogP3.12
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348977
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
methyl 3-[[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348921
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109349018) is 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is XZRNRWFPCOURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)25-16-7-5-8-17(10-16)26-20-11-18(23-13-24-20)21(28)22-12-15-6-3-4-9-19(15)29-2/h3-11,13H,12H2,1-2H3,(H,22,28)(H,25,27)(H,23,24,26).
What are the key properties of 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109349018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).