N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide

C18H20N4O2 — CID 53166495

IUPACN-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-6-8-13(9-7-12)17(23)22-16-15(19-10-11-20-16)18(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJNTIABULSPSKIK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.71
Rot. Bonds4

About N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide

N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 53166495) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
PubChem CID53166495
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-6-8-13(9-7-12)17(23)22-16-15(19-10-11-20-16)18(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJNTIABULSPSKIK-UHFFFAOYSA-N
XLogP2.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 42866759
3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 42853833
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
N-cyclobutyl-4-methylbenzamide
CID 23530676
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide (CID 53166495) is N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is JNTIABULSPSKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-6-8-13(9-7-12)17(23)22-16-15(19-10-11-20-16)18(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 53166495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).