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

C23H29N5O3 — CID 46049142

IUPAC3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C23H29N5O3/c1-15(2)13-19(29)28-11-7-18(8-12-28)26-23(31)20-21(25-10-9-24-20)27-22(30)17-6-4-5-16(3)14-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3,(H,26,31)(H,25,27,30)
InChIKeyRSVMXPQMJPSPSJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.80
Rot. Bonds6

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

3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 46049142) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID46049142
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C23H29N5O3/c1-15(2)13-19(29)28-11-7-18(8-12-28)26-23(31)20-21(25-10-9-24-20)27-22(30)17-6-4-5-16(3)14-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3,(H,26,31)(H,25,27,30)
InChIKeyRSVMXPQMJPSPSJ-UHFFFAOYSA-N
XLogP2.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
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
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-[(3-fluorobenzoyl)amino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 83284560
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-(pyridine-2-carbonylamino)pyrazine-2-carboxamide
CID 42866695
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 46049142) is 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1cccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is RSVMXPQMJPSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)13-19(29)28-11-7-18(8-12-28)26-23(31)20-21(25-10-9-24-20)27-22(30)17-6-4-5-16(3)14-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3,(H,26,31)(H,25,27,30).
What are the key properties of 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 46049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).