N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

C18H21ClN4O2 — CID 109275297

IUPACN-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-12-5-7-23(8-6-12)17-11-20-15(10-21-17)18(24)22-13-3-4-16(25-2)14(19)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,22,24)
InChIKeyWWCHMDXKCBNWSD-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 109275297) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID109275297
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-12-5-7-23(8-6-12)17-11-20-15(10-21-17)18(24)22-13-3-4-16(25-2)14(19)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,22,24)
InChIKeyWWCHMDXKCBNWSD-UHFFFAOYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109275343
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184851
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275219
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342307

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (CID 109275297) is N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is WWCHMDXKCBNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-5-7-23(8-6-12)17-11-20-15(10-21-17)18(24)22-13-3-4-16(25-2)14(19)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).