3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide

C23H20ClN5O3 — CID 174461676

IUPAC3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)Nc1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O3/c24-16-6-4-15(5-7-16)22(31)28-21-20(25-12-13-26-21)23(32)27-17-8-10-18(11-9-17)29-14-2-1-3-19(29)30/h4-13H,1-3,14H2,(H,27,32)(H,26,28,31)
InChIKeyBHASSBFJUDZBKR-UHFFFAOYSA-N
MW449.90 g/mol
LogP4.15
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide

3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 174461676) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID174461676
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)Nc1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O3/c24-16-6-4-15(5-7-16)22(31)28-21-20(25-12-13-26-21)23(32)27-17-8-10-18(11-9-17)29-14-2-1-3-19(29)30/h4-13H,1-3,14H2,(H,27,32)(H,26,28,31)
InChIKeyBHASSBFJUDZBKR-UHFFFAOYSA-N
XLogP4.15
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
5-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]-4-pyridinyl]pyridine-2-carboxamide;3-[(5-chloropyridine-2-carbonyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-4-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide
CID 157147492
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(2-chlorophenoxy)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18288988
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide
CID 158322028
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide (CID 174461676) is 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)Nc1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is BHASSBFJUDZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c24-16-6-4-15(5-7-16)22(31)28-21-20(25-12-13-26-21)23(32)27-17-8-10-18(11-9-17)29-14-2-1-3-19(29)30/h4-13H,1-3,14H2,(H,27,32)(H,26,28,31).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide?
3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 449.90 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174461676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).