1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide

C22H26N4O3 — CID 143414159

IUPAC1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(NC=O)nc1
InChIInChI=1S/C22H26N4O3/c1-15-6-7-17(21(28)23-11-10-16-4-2-3-5-16)12-19(15)22(29)26-18-8-9-20(24-13-18)25-14-27/h6-9,12-14,16H,2-5,10-11H2,1H3,(H,23,28)(H,26,29)(H,24,25,27)
InChIKeyRVOKMROBTOSSFZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.52
Rot. Bonds8

About 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide

1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 143414159) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID143414159
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(NC=O)nc1
InChIInChI=1S/C22H26N4O3/c1-15-6-7-17(21(28)23-11-10-16-4-2-3-5-16)12-19(15)22(29)26-18-8-9-20(24-13-18)25-14-27/h6-9,12-14,16H,2-5,10-11H2,1H3,(H,23,28)(H,26,29)(H,24,25,27)
InChIKeyRVOKMROBTOSSFZ-UHFFFAOYSA-N
XLogP3.52
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
CID 143414160
3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
CID 44560639
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 71215207
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170
N-(2-cyclohexylethyl)-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-methylbenzamide
CID 90775221
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide (CID 143414159) is 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(NC=O)nc1.
What is the InChIKey of 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is RVOKMROBTOSSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-6-7-17(21(28)23-11-10-16-4-2-3-5-16)12-19(15)22(29)26-18-8-9-20(24-13-18)25-14-27/h6-9,12-14,16H,2-5,10-11H2,1H3,(H,23,28)(H,26,29)(H,24,25,27).
What are the key properties of 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide?
1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 143414159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).