N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

C25H32N6O4 — CID 42866717

IUPACN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H32N6O4/c1-35-20-9-7-17(8-10-20)23(32)30-22-21(26-13-14-27-22)24(33)28-19-11-15-31(16-12-19)25(34)29-18-5-3-2-4-6-18/h7-10,13-14,18-19H,2-6,11-12,15-16H2,1H3,(H,28,33)(H,29,34)(H,27,30,32)
InChIKeyWJYAPPMLRBZCKF-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 42866717) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID42866717
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC NameN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H32N6O4/c1-35-20-9-7-17(8-10-20)23(32)30-22-21(26-13-14-27-22)24(33)28-19-11-15-31(16-12-19)25(34)29-18-5-3-2-4-6-18/h7-10,13-14,18-19H,2-6,11-12,15-16H2,1H3,(H,28,33)(H,29,34)(H,27,30,32)
InChIKeyWJYAPPMLRBZCKF-UHFFFAOYSA-N
XLogP2.97
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 42866717) is N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is WJYAPPMLRBZCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-35-20-9-7-17(8-10-20)23(32)30-22-21(26-13-14-27-22)24(33)28-19-11-15-31(16-12-19)25(34)29-18-5-3-2-4-6-18/h7-10,13-14,18-19H,2-6,11-12,15-16H2,1H3,(H,28,33)(H,29,34)(H,27,30,32).
What are the key properties of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 42866717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).