N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide

C19H17N3O3 — CID 110295366

IUPACN-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-9-7-14(8-10-15)16-11-17(22-19(24)21-16)18(23)20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyQXYXXVXZEPGGAK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.38
Rot. Bonds5

About N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide

N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 110295366) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID110295366
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-9-7-14(8-10-15)16-11-17(22-19(24)21-16)18(23)20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyQXYXXVXZEPGGAK-UHFFFAOYSA-N
XLogP2.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-hydroxyphenyl)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110421281
N-[3-(4-fluorophenoxy)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110307304
N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295452
4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110426928
2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 110332451
4-(3-methoxyphenyl)-2-oxo-N-propyl-1H-pyrimidine-6-carboxamide
CID 110332321
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3754901
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide (CID 110295366) is N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3)[nH]c(=O)n2)cc1.
What is the InChIKey of N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QXYXXVXZEPGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-15-9-7-14(8-10-15)16-11-17(22-19(24)21-16)18(23)20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110295366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).