N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide

C13H18N2O — CID 23051243

IUPACN-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CCCc1cccnc1
InChIInChI=1S/C13H18N2O/c1-3-13(16)15-11(2)6-4-7-12-8-5-9-14-10-12/h3,5,8-11H,1,4,6-7H2,2H3,(H,15,16)
InChIKeyXBLIBGRTTOJZFG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.10
Rot. Bonds6

About N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide

N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide (PubChem CID 23051243) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
PubChem CID23051243
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CCCc1cccnc1
InChIInChI=1S/C13H18N2O/c1-3-13(16)15-11(2)6-4-7-12-8-5-9-14-10-12/h3,5,8-11H,1,4,6-7H2,2H3,(H,15,16)
InChIKeyXBLIBGRTTOJZFG-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(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-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
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
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051537

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide?
The IUPAC name of N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide (CID 23051243) is N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide is C=CC(=O)NC(C)CCCc1cccnc1.
What is the InChIKey of N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide?
The InChIKey is XBLIBGRTTOJZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13(16)15-11(2)6-4-7-12-8-5-9-14-10-12/h3,5,8-11H,1,4,6-7H2,2H3,(H,15,16).
What are the key properties of N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide?
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 23051243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).