5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide

C29H34N2O — CID 23051537

IUPAC5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
SMILESCc1cccc(C(=CCCC(=O)NC(C)CCCc2cccnc2)c2cccc(C)c2)c1
InChIInChI=1S/C29H34N2O/c1-22-9-4-14-26(19-22)28(27-15-5-10-23(2)20-27)16-7-17-29(32)31-24(3)11-6-12-25-13-8-18-30-21-25/h4-5,8-10,13-16,18-21,24H,6-7,11-12,17H2,1-3H3,(H,31,32)
InChIKeyUXYFKENTXQHGJZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP6.44
Rot. Bonds10

About 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide

5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide (PubChem CID 23051537) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide.

Molecular Properties

Compound Name5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
PubChem CID23051537
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
SMILESCc1cccc(C(=CCCC(=O)NC(C)CCCc2cccnc2)c2cccc(C)c2)c1
InChIInChI=1S/C29H34N2O/c1-22-9-4-14-26(19-22)28(27-15-5-10-23(2)20-27)16-7-17-29(32)31-24(3)11-6-12-25-13-8-18-30-21-25/h4-5,8-10,13-16,18-21,24H,6-7,11-12,17H2,1-3H3,(H,31,32)
InChIKeyUXYFKENTXQHGJZ-UHFFFAOYSA-N
XLogP6.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-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

5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051645
5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide
CID 54132605
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
CID 86828425
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The IUPAC name of 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide (CID 23051537) is 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide.
What is the SMILES notation for 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The canonical SMILES for 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide is Cc1cccc(C(=CCCC(=O)NC(C)CCCc2cccnc2)c2cccc(C)c2)c1.
What is the InChIKey of 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The InChIKey is UXYFKENTXQHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-22-9-4-14-26(19-22)28(27-15-5-10-23(2)20-27)16-7-17-29(32)31-24(3)11-6-12-25-13-8-18-30-21-25/h4-5,8-10,13-16,18-21,24H,6-7,11-12,17H2,1-3H3,(H,31,32).
What are the key properties of 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide has a molecular weight of 426.60 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide is sourced from PubChem (CID 23051537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).