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

C24H29N5O4 — CID 46049068

IUPACN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N5O4/c1-33-19-8-6-16(7-9-19)22(30)28-21-20(25-12-13-26-21)23(31)27-18-10-14-29(15-11-18)24(32)17-4-2-3-5-17/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyPXOVHPRFWUIMTE-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.65
Rot. Bonds6

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

N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 46049068) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID46049068
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29N5O4/c1-33-19-8-6-16(7-9-19)22(30)28-21-20(25-12-13-26-21)23(31)27-18-10-14-29(15-11-18)24(32)17-4-2-3-5-17/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyPXOVHPRFWUIMTE-UHFFFAOYSA-N
XLogP2.65
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
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-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 46049085
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
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-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 46049068) is N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is PXOVHPRFWUIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-33-19-8-6-16(7-9-19)22(30)28-21-20(25-12-13-26-21)23(31)27-18-10-14-29(15-11-18)24(32)17-4-2-3-5-17/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 46049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).