N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

C20H20ClN5O — CID 109285110

IUPACN-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)cc1Cl
InChIInChI=1S/C20H20ClN5O/c1-14-3-4-16(11-17(14)21)25-20(27)18-12-24-19(13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyIPSOPYAAQBFTCS-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.76
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (PubChem CID 109285110) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
PubChem CID109285110
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)cc1Cl
InChIInChI=1S/C20H20ClN5O/c1-14-3-4-16(11-17(14)21)25-20(27)18-12-24-19(13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyIPSOPYAAQBFTCS-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067
N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372286
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109281209
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (CID 109285110) is N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N(C)CCc3ccncc3)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The InChIKey is IPSOPYAAQBFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-14-3-4-16(11-17(14)21)25-20(27)18-12-24-19(13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).