(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide

C28H34N2O2 — CID 102061796

IUPAC(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
SMILESCCCCc1c(/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c(OC)cc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-4-5-14-25-24-15-7-6-13-23(24)19-27(32-3)26(25)16-17-28(31)30-21(2)10-8-11-22-12-9-18-29-20-22/h6-7,9,12-13,15-21H,4-5,8,10-11,14H2,1-3H3,(H,30,31)/b17-16+/t21-/m1/s1
InChIKeyNNBRFPUEHAYBSE-LVWMNBHTSA-N
MW430.59 g/mol
LogP6.13
Rot. Bonds11

About (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide

(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide (PubChem CID 102061796) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
PubChem CID102061796
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
SMILESCCCCc1c(/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c(OC)cc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-4-5-14-25-24-15-7-6-13-23(24)19-27(32-3)26(25)16-17-28(31)30-21(2)10-8-11-22-12-9-18-29-20-22/h6-7,9,12-13,15-21H,4-5,8,10-11,14H2,1-3H3,(H,30,31)/b17-16+/t21-/m1/s1
InChIKeyNNBRFPUEHAYBSE-LVWMNBHTSA-N
XLogP6.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
3-(6-methoxy-1-propyl-3,4-dihydronaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 54187000
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
(E)-3-[(1R)-2,2-bis(3-methoxyphenyl)cyclopropyl]-N-[(2S)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide
CID 86742538
3-(1,6-dimethyl-3-pentylindol-2-yl)-N-[(3R)-6-pyridin-3-ylhexan-3-yl]prop-2-enamide
CID 54492471
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 31305879

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide (CID 102061796) is (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide is CCCCc1c(/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c(OC)cc2ccccc12.
What is the InChIKey of (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide?
The InChIKey is NNBRFPUEHAYBSE-LVWMNBHTSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-4-5-14-25-24-15-7-6-13-23(24)19-27(32-3)26(25)16-17-28(31)30-21(2)10-8-11-22-12-9-18-29-20-22/h6-7,9,12-13,15-21H,4-5,8,10-11,14H2,1-3H3,(H,30,31)/b17-16+/t21-/m1/s1.
What are the key properties of (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide?
(E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide has a molecular weight of 430.59 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-butyl-3-methoxynaphthalen-2-yl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide is sourced from PubChem (CID 102061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).