N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C19H18N4O2 — CID 109303842

IUPACN-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)22-19-20-11-10-17(23-19)18(24)21-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLVXPZHJFVKXHKS-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide

N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109303842) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109303842
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)22-19-20-11-10-17(23-19)18(24)21-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLVXPZHJFVKXHKS-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109303842) is N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LVXPZHJFVKXHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)22-19-20-11-10-17(23-19)18(24)21-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).