3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide

C21H26N4O2 — CID 44560639

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-14-7-8-16(20(26)24-12-15-5-3-2-4-6-15)11-18(14)21(27)25-17-9-10-19(22)23-13-17/h7-11,13,15H,2-6,12H2,1H3,(H2,22,23)(H,24,26)(H,25,27)
InChIKeyMMADONAZXAJFKA-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.53
Rot. Bonds5

About 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide

3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 44560639) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID44560639
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-14-7-8-16(20(26)24-12-15-5-3-2-4-6-15)11-18(14)21(27)25-17-9-10-19(22)23-13-17/h7-11,13,15H,2-6,12H2,1H3,(H2,22,23)(H,24,26)(H,25,27)
InChIKeyMMADONAZXAJFKA-UHFFFAOYSA-N
XLogP3.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-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
1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
CID 143414159
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
CID 144732154
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
CID 82331662
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide (CID 44560639) is 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is MMADONAZXAJFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-7-8-16(20(26)24-12-15-5-3-2-4-6-15)11-18(14)21(27)25-17-9-10-19(22)23-13-17/h7-11,13,15H,2-6,12H2,1H3,(H2,22,23)(H,24,26)(H,25,27).
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide?
3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.53, 5 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-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 44560639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).