5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C20H26N4O — CID 109279992

IUPAC5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-15-8-6-7-9-16(15)12-23-20(25)18-13-22-19(14-21-18)24-17-10-4-2-3-5-11-17/h6-9,13-14,17H,2-5,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyADYOTDPVXWRHJN-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.85
Rot. Bonds5

About 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109279992) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109279992
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-15-8-6-7-9-16(15)12-23-20(25)18-13-22-19(14-21-18)24-17-10-4-2-3-5-11-17/h6-9,13-14,17H,2-5,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyADYOTDPVXWRHJN-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272801
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109279992) is 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ADYOTDPVXWRHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-8-6-7-9-16(15)12-23-20(25)18-13-22-19(14-21-18)24-17-10-4-2-3-5-11-17/h6-9,13-14,17H,2-5,10-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109279992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).