N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide

C13H11ClN4O2 — CID 136527349

IUPACN-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
SMILESCc1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H11ClN4O2/c1-7-16-6-10(14)11(17-7)13(20)18-9-4-2-8(3-5-9)12(15)19/h2-6H,1H3,(H2,15,19)(H,18,20)
InChIKeyWZNJZNUDJSCCAE-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.79
Rot. Bonds3

About N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide

N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide (PubChem CID 136527349) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
PubChem CID136527349
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
SMILESCc1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H11ClN4O2/c1-7-16-6-10(14)11(17-7)13(20)18-9-4-2-8(3-5-9)12(15)19/h2-6H,1H3,(H2,15,19)(H,18,20)
InChIKeyWZNJZNUDJSCCAE-UHFFFAOYSA-N
XLogP1.79
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride
CID 131160011
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
CID 43238498
ethyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate
CID 19119510
N-(4-carbamoyl-2-methylphenyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047164
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide (CID 136527349) is N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide is Cc1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide?
The InChIKey is WZNJZNUDJSCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-7-16-6-10(14)11(17-7)13(20)18-9-4-2-8(3-5-9)12(15)19/h2-6H,1H3,(H2,15,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide?
N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 136527349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).