N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide

C19H23ClN4O2 — CID 109287599

IUPACN-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-26-17-9-8-13(20)10-15(17)24-19(25)16-11-22-18(12-21-16)23-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyIFHALZBOQZPJIZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.53
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide (PubChem CID 109287599) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
PubChem CID109287599
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-26-17-9-8-13(20)10-15(17)24-19(25)16-11-22-18(12-21-16)23-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyIFHALZBOQZPJIZ-UHFFFAOYSA-N
XLogP4.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109277030
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide (CID 109287599) is N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(NC2CCCCCC2)cn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide?
The InChIKey is IFHALZBOQZPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-26-17-9-8-13(20)10-15(17)24-19(25)16-11-22-18(12-21-16)23-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).