(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide

C25H40N2O — CID 14547304

IUPAC(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
SMILESCCCCCC(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)CCCCC
InChIInChI=1S/C25H40N2O/c1-4-6-8-14-23(15-9-7-5-2)16-11-19-25(28)27-22(3)13-10-17-24-18-12-20-26-21-24/h11-12,16,18-22H,4-10,13-15,17H2,1-3H3,(H,27,28)/b19-11+/t22-/m1/s1
InChIKeyNNINSGBUSGPQJQ-ZVYKEMNCSA-N
MW384.61 g/mol
LogP6.55
Rot. Bonds15

About (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide

(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide (PubChem CID 14547304) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
PubChem CID14547304
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
SMILESCCCCCC(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)CCCCC
InChIInChI=1S/C25H40N2O/c1-4-6-8-14-23(15-9-7-5-2)16-11-19-25(28)27-22(3)13-10-17-24-18-12-20-26-21-24/h11-12,16,18-22H,4-10,13-15,17H2,1-3H3,(H,27,28)/b19-11+/t22-/m1/s1
InChIKeyNNINSGBUSGPQJQ-ZVYKEMNCSA-N
XLogP6.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide?
The IUPAC name of (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide (CID 14547304) is (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide.
What is the SMILES notation for (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide?
The canonical SMILES for (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide is CCCCCC(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)CCCCC.
What is the InChIKey of (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide?
The InChIKey is NNINSGBUSGPQJQ-ZVYKEMNCSA-N. The full InChI is InChI=1S/C25H40N2O/c1-4-6-8-14-23(15-9-7-5-2)16-11-19-25(28)27-22(3)13-10-17-24-18-12-20-26-21-24/h11-12,16,18-22H,4-10,13-15,17H2,1-3H3,(H,27,28)/b19-11+/t22-/m1/s1.
What are the key properties of (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide?
(2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide has a molecular weight of 384.61 g/mol, XLogP of 6.55, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-pentyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide is sourced from PubChem (CID 14547304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).