N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide

C17H19ClN4O3 — CID 109277030

IUPACN-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(NCC2CCCO2)cn1
InChIInChI=1S/C17H19ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-17(23)14-9-21-16(10-19-14)20-8-12-3-2-6-25-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyDYSURAPUEDUKQQ-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.98
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109277030) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109277030
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(NCC2CCCO2)cn1
InChIInChI=1S/C17H19ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-17(23)14-9-21-16(10-19-14)20-8-12-3-2-6-25-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyDYSURAPUEDUKQQ-UHFFFAOYSA-N
XLogP2.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
N-[N-(5-chloro-2-methoxyphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-3,4-dimethoxybenzamide
CID 94089620
N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide (CID 109277030) is N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(NCC2CCCO2)cn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is DYSURAPUEDUKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-17(23)14-9-21-16(10-19-14)20-8-12-3-2-6-25-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).