N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide

C14H14ClN3O2 — CID 53337921

IUPACN-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cc(Cl)ccc2C)c(C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-5-10(15)6-12(8)18-13(19)11-7-16-14(20-3)17-9(11)2/h4-7H,1-3H3,(H,18,19)
InChIKeyWYJJOBHSPSHSRZ-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.01
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide

N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide (PubChem CID 53337921) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
PubChem CID53337921
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cc(Cl)ccc2C)c(C)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-4-5-10(15)6-12(8)18-13(19)11-7-16-14(20-3)17-9(11)2/h4-7H,1-3H3,(H,18,19)
InChIKeyWYJJOBHSPSHSRZ-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-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

4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53014357
N-(5-chloro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233865
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181646

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide (CID 53337921) is N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide is COc1ncc(C(=O)Nc2cc(Cl)ccc2C)c(C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The InChIKey is WYJJOBHSPSHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-4-5-10(15)6-12(8)18-13(19)11-7-16-14(20-3)17-9(11)2/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 53337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).