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

C23H30N4O2 — CID 44560641

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C23H30N4O2/c1-16-9-10-18(22(28)25-13-5-8-17-6-3-2-4-7-17)14-20(16)23(29)27-19-11-12-21(24)26-15-19/h9-12,14-15,17H,2-8,13H2,1H3,(H2,24,26)(H,25,28)(H,27,29)
InChIKeyZGRFFKUUDPFJDU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.31
Rot. Bonds7

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

3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 44560641) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID44560641
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C23H30N4O2/c1-16-9-10-18(22(28)25-13-5-8-17-6-3-2-4-7-17)14-20(16)23(29)27-19-11-12-21(24)26-15-19/h9-12,14-15,17H,2-8,13H2,1H3,(H2,24,26)(H,25,28)(H,27,29)
InChIKeyZGRFFKUUDPFJDU-UHFFFAOYSA-N
XLogP4.31
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide (CID 44560641) is 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is ZGRFFKUUDPFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-9-10-18(22(28)25-13-5-8-17-6-3-2-4-7-17)14-20(16)23(29)27-19-11-12-21(24)26-15-19/h9-12,14-15,17H,2-8,13H2,1H3,(H2,24,26)(H,25,28)(H,27,29).
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide?
3-N-(6-amino-3-pyridinyl)-1-N-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.31, 7 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-(3-cyclohexylpropyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 44560641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).