N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C19H16ClN5O2 — CID 131937130

IUPACN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)c2cnc(-c3ccccn3)nc2)ccc1Cl
InChIInChI=1S/C19H16ClN5O2/c1-2-21-19(27)14-9-13(6-7-15(14)20)25-18(26)12-10-23-17(24-11-12)16-5-3-4-8-22-16/h3-11H,2H2,1H3,(H,21,27)(H,25,26)
InChIKeyZEHPYTYKKJURCM-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.19
Rot. Bonds5

About N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 131937130) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID131937130
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)c2cnc(-c3ccccn3)nc2)ccc1Cl
InChIInChI=1S/C19H16ClN5O2/c1-2-21-19(27)14-9-13(6-7-15(14)20)25-18(26)12-10-23-17(24-11-12)16-5-3-4-8-22-16/h3-11H,2H2,1H3,(H,21,27)(H,25,26)
InChIKeyZEHPYTYKKJURCM-UHFFFAOYSA-N
XLogP3.19
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131927307
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
5-benzamido-N-ethyl-2-trimethylsilylbenzamide
CID 18630031
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
4-chloro-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide;ethene
CID 142517317
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
CID 131939887
4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70814351
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 131937130) is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is CCNC(=O)c1cc(NC(=O)c2cnc(-c3ccccn3)nc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is ZEHPYTYKKJURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-2-21-19(27)14-9-13(6-7-15(14)20)25-18(26)12-10-23-17(24-11-12)16-5-3-4-8-22-16/h3-11H,2H2,1H3,(H,21,27)(H,25,26).
What are the key properties of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131937130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).