N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C20H26N4O2 — CID 109282300

IUPACN-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-26-18-11-7-6-8-15(18)12-22-19-14-21-17(13-23-19)20(25)24-16-9-4-2-3-5-10-16/h6-8,11,13-14,16H,2-5,9-10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyVBMMZNUJKJOMCH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.55
Rot. Bonds6

About N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282300) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282300
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-26-18-11-7-6-8-15(18)12-22-19-14-21-17(13-23-19)20(25)24-16-9-4-2-3-5-10-16/h6-8,11,13-14,16H,2-5,9-10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyVBMMZNUJKJOMCH-UHFFFAOYSA-N
XLogP3.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109282300) is N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is VBMMZNUJKJOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-11-7-6-8-15(18)12-22-19-14-21-17(13-23-19)20(25)24-16-9-4-2-3-5-10-16/h6-8,11,13-14,16H,2-5,9-10,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).