2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

C20H24N4O3 — CID 46363303

IUPAC2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCN1CCN(c2ncc(NC(=O)c3ccccc3C)cc2C(=O)O)CC1
InChIInChI=1S/C20H24N4O3/c1-3-23-8-10-24(11-9-23)18-17(20(26)27)12-15(13-21-18)22-19(25)16-7-5-4-6-14(16)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyGLDKJJZPVUHTDJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 46363303) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID46363303
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCCN1CCN(c2ncc(NC(=O)c3ccccc3C)cc2C(=O)O)CC1
InChIInChI=1S/C20H24N4O3/c1-3-23-8-10-24(11-9-23)18-17(20(26)27)12-15(13-21-18)22-19(25)16-7-5-4-6-14(16)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyGLDKJJZPVUHTDJ-UHFFFAOYSA-N
XLogP2.48
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094094
5-[(2-methylbenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094386
5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83289463
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-(3-chlorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174520
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
5-[(2-fluorobenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094385
5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83290164
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 46363303) is 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is CCN1CCN(c2ncc(NC(=O)c3ccccc3C)cc2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GLDKJJZPVUHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-23-8-10-24(11-9-23)18-17(20(26)27)12-15(13-21-18)22-19(25)16-7-5-4-6-14(16)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 46363303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).