4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide

C20H22N4O3 — CID 109084885

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3C)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-14-5-3-4-6-17(14)22-19(26)18-13-16(7-8-21-18)20(27)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyVWPSLFCKEKNSBX-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.95
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109084885) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
PubChem CID109084885
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3C)c2)CC1
InChIInChI=1S/C20H22N4O3/c1-14-5-3-4-6-17(14)22-19(26)18-13-16(7-8-21-18)20(27)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyVWPSLFCKEKNSBX-UHFFFAOYSA-N
XLogP1.95
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109084898
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide (CID 109084885) is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccnc(C(=O)Nc3ccccc3C)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is VWPSLFCKEKNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-3-4-6-17(14)22-19(26)18-13-16(7-8-21-18)20(27)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).