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

C26H27N5O3 — CID 42853891

IUPAC3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-18-7-9-20(10-8-18)25(33)30-24-23(27-13-14-28-24)26(34)29-21-11-15-31(16-12-21)22(32)17-19-5-3-2-4-6-19/h2-10,13-14,21H,11-12,15-17H2,1H3,(H,29,34)(H,28,30,33)
InChIKeyKRSQCEDBHHYMHX-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.00
Rot. Bonds6

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

3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42853891) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42853891
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-18-7-9-20(10-8-18)25(33)30-24-23(27-13-14-28-24)26(34)29-21-11-15-31(16-12-21)22(32)17-19-5-3-2-4-6-19/h2-10,13-14,21H,11-12,15-17H2,1H3,(H,29,34)(H,28,30,33)
InChIKeyKRSQCEDBHHYMHX-UHFFFAOYSA-N
XLogP3.00
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 83284560
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 42866759
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 42853891) is 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is KRSQCEDBHHYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-18-7-9-20(10-8-18)25(33)30-24-23(27-13-14-28-24)26(34)29-21-11-15-31(16-12-21)22(32)17-19-5-3-2-4-6-19/h2-10,13-14,21H,11-12,15-17H2,1H3,(H,29,34)(H,28,30,33).
What are the key properties of 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42853891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).