N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide

C16H17ClN4O — CID 124985334

IUPACN-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
SMILESCN1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O/c1-21-10-2-3-13(21)14-15(19-9-8-18-14)16(22)20-12-6-4-11(17)5-7-12/h4-9,13H,2-3,10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyNRBSYXXQFCOAAG-ZDUSSCGKSA-N
MW316.79 g/mol
LogP3.15
Rot. Bonds3

About N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide

N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide (PubChem CID 124985334) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
PubChem CID124985334
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
SMILESCN1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O/c1-21-10-2-3-13(21)14-15(19-9-8-18-14)16(22)20-12-6-4-11(17)5-7-12/h4-9,13H,2-3,10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyNRBSYXXQFCOAAG-ZDUSSCGKSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
CID 119412850
N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
CID 122516746
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435
3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
CID 120947355
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
5-[(2R)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070750
3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 174461676
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide (CID 124985334) is N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide is CN1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide?
The InChIKey is NRBSYXXQFCOAAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-21-10-2-3-13(21)14-15(19-9-8-18-14)16(22)20-12-6-4-11(17)5-7-12/h4-9,13H,2-3,10H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide?
N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 124985334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).