5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide

C20H19N5O3 — CID 109104825

IUPAC5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)CC1
InChIInChI=1S/C20H19N5O3/c1-14(26)24-6-8-25(9-7-24)20(28)17-10-16(12-22-13-17)19(27)23-18-5-3-2-4-15(18)11-21/h2-5,10,12-13H,6-9H2,1H3,(H,23,27)
InChIKeyJTUPLTMZRQGMRQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.51
Rot. Bonds3

About 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide

5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109104825) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
PubChem CID109104825
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)CC1
InChIInChI=1S/C20H19N5O3/c1-14(26)24-6-8-25(9-7-24)20(28)17-10-16(12-22-13-17)19(27)23-18-5-3-2-4-15(18)11-21/h2-5,10,12-13H,6-9H2,1H3,(H,23,27)
InChIKeyJTUPLTMZRQGMRQ-UHFFFAOYSA-N
XLogP1.51
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383
5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109104467
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109104830
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide (CID 109104825) is 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is JTUPLTMZRQGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14(26)24-6-8-25(9-7-24)20(28)17-10-16(12-22-13-17)19(27)23-18-5-3-2-4-15(18)11-21/h2-5,10,12-13H,6-9H2,1H3,(H,23,27).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide?
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).