3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane

C23H32N4O2 — CID 143414160

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
SMILESCC.Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2.C2H6/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17;1-2/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27);1-2H3
InChIKeyBGTDMDQEJLHHHG-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.56
Rot. Bonds6

About 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane

3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane (PubChem CID 143414160) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
PubChem CID143414160
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
SMILESCC.Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2.C2H6/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17;1-2/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27);1-2H3
InChIKeyBGTDMDQEJLHHHG-UHFFFAOYSA-N
XLogP4.56
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
CID 44560639
1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
CID 143414159
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
4-amino-N-(2-cyclopentylethyl)-6-methylpyridine-3-carboxamide
CID 81243330
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
CID 82331662
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
CID 60919964
5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 71215207
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane (CID 143414160) is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane is CC.Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane?
The InChIKey is BGTDMDQEJLHHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.C2H6/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17;1-2/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27);1-2H3.
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane?
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane has a molecular weight of 396.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane is sourced from PubChem (CID 143414160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).