N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C13H13N3O2 — CID 110466860

IUPACN-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncnc1
InChIInChI=1S/C13H13N3O2/c1-18-12-5-3-2-4-10(12)8-16-13(17)11-6-14-9-15-7-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyDCACVQUGVDZREP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.42
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 110466860) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID110466860
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncnc1
InChIInChI=1S/C13H13N3O2/c1-18-12-5-3-2-4-10(12)8-16-13(17)11-6-14-9-15-7-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyDCACVQUGVDZREP-UHFFFAOYSA-N
XLogP1.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 110466860) is N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cncnc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is DCACVQUGVDZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-5-3-2-4-10(12)8-16-13(17)11-6-14-9-15-7-11/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110466860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).