N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide

C14H14ClN3O — CID 42905859

IUPACN-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)c2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-9-7-17-13(8-16-9)14(19)18-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,18,19)
InChIKeyVZJRYWLDILVLNM-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.93
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide

N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42905859) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID42905859
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)c2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-9-7-17-13(8-16-9)14(19)18-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,18,19)
InChIKeyVZJRYWLDILVLNM-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107375144
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 71980504
N-[(1S,2R)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 96570446
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide (CID 42905859) is N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC(C)c2ccccc2Cl)cn1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VZJRYWLDILVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-7-17-13(8-16-9)14(19)18-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42905859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).