5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C21H26N4O2 — CID 109104539

IUPAC5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)NCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-3-24-7-9-25(10-8-24)21(27)19-12-18(14-22-15-19)20(26)23-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,26)
InChIKeyFGIFTKFWHVWXOC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.10
Rot. Bonds5

About 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109104539) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109104539
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)NCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-3-24-7-9-25(10-8-24)21(27)19-12-18(14-22-15-19)20(26)23-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,26)
InChIKeyFGIFTKFWHVWXOC-UHFFFAOYSA-N
XLogP2.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104549
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104584
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 109104539) is 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is CCN1CCN(C(=O)c2cncc(C(=O)NCc3cccc(C)c3)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FGIFTKFWHVWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-24-7-9-25(10-8-24)21(27)19-12-18(14-22-15-19)20(26)23-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109104539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).