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

C26H27N5O5 — CID 42853875

IUPAC3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H27N5O5/c1-35-19-9-7-17(8-10-19)24(32)30-23-22(27-13-14-28-23)25(33)29-18-11-15-31(16-12-18)26(34)20-5-3-4-6-21(20)36-2/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyZVLJXZBGLNZIAM-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.78
Rot. Bonds7

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

3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42853875) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42853875
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H27N5O5/c1-35-19-9-7-17(8-10-19)24(32)30-23-22(27-13-14-28-23)25(33)29-18-11-15-31(16-12-18)26(34)20-5-3-4-6-21(20)36-2/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyZVLJXZBGLNZIAM-UHFFFAOYSA-N
XLogP2.78
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-(1,3-benzodioxole-5-carbonylamino)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853946

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 42853875) is 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is ZVLJXZBGLNZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-35-19-9-7-17(8-10-19)24(32)30-23-22(27-13-14-28-23)25(33)29-18-11-15-31(16-12-18)26(34)20-5-3-4-6-21(20)36-2/h3-10,13-14,18H,11-12,15-16H2,1-2H3,(H,29,33)(H,28,30,32).
What are the key properties of 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42853875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).