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

C20H24N4O2 — CID 44560590

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C20H24N4O2/c1-13-7-8-14(19(25)23-15-5-3-2-4-6-15)11-17(13)20(26)24-16-9-10-18(21)22-12-16/h7-12,15H,2-6H2,1H3,(H2,21,22)(H,23,25)(H,24,26)
InChIKeyJOSMRHNPNGATRD-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.29
Rot. Bonds4

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

3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide (PubChem CID 44560590) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide
PubChem CID44560590
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C20H24N4O2/c1-13-7-8-14(19(25)23-15-5-3-2-4-6-15)11-17(13)20(26)24-16-9-10-18(21)22-12-16/h7-12,15H,2-6H2,1H3,(H2,21,22)(H,23,25)(H,24,26)
InChIKeyJOSMRHNPNGATRD-UHFFFAOYSA-N
XLogP3.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.29
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-cyclohexyl-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide (CID 44560590) is 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is JOSMRHNPNGATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-7-8-14(19(25)23-15-5-3-2-4-6-15)11-17(13)20(26)24-16-9-10-18(21)22-12-16/h7-12,15H,2-6H2,1H3,(H2,21,22)(H,23,25)(H,24,26).
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide?
3-N-(6-amino-3-pyridinyl)-1-N-cyclohexyl-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.29, 4 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-cyclohexyl-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 44560590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).