3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide

C22H28N4O2 — CID 44560640

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)24-12-11-16-5-3-2-4-6-16)13-19(15)22(28)26-18-9-10-20(23)25-14-18/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,23,25)(H,24,27)(H,26,28)
InChIKeyWKRGWNGOAPQILF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.92
Rot. Bonds6

About 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide

3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 44560640) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID44560640
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)24-12-11-16-5-3-2-4-6-16)13-19(15)22(28)26-18-9-10-20(23)25-14-18/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,23,25)(H,24,27)(H,26,28)
InChIKeyWKRGWNGOAPQILF-UHFFFAOYSA-N
XLogP3.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide (CID 44560640) is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is WKRGWNGOAPQILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)24-12-11-16-5-3-2-4-6-16)13-19(15)22(28)26-18-9-10-20(23)25-14-18/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,23,25)(H,24,27)(H,26,28).
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide?
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.92, 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-cyclohexylethyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 44560640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).