N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

C18H28N4O — CID 109275249

IUPACN-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCC1CCN(c2cnc(C(=O)NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)17-13-19-16(12-20-17)18(23)21-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,21,23)
InChIKeyAWEUHISQRFNRAN-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.17
Rot. Bonds3

About N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide

N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 109275249) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID109275249
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCC1CCN(c2cnc(C(=O)NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)17-13-19-16(12-20-17)18(23)21-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,21,23)
InChIKeyAWEUHISQRFNRAN-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(4-formylpiperidin-1-yl)pyrazine-2-carboxamide
CID 167041254
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
CID 109273957
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109275191

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide (CID 109275249) is N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is CC1CCN(c2cnc(C(=O)NC3CCCCCC3)cn2)CC1.
What is the InChIKey of N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is AWEUHISQRFNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-8-10-22(11-9-14)17-13-19-16(12-20-17)18(23)21-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide?
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).