N-(4-propyl-2-pyridinyl)prop-2-enamide

C11H14N2O — CID 176981976

IUPACN-(4-propyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(CCC)ccn1
InChIInChI=1S/C11H14N2O/c1-3-5-9-6-7-12-10(8-9)13-11(14)4-2/h4,6-8H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyOWPSMQZLOVXTMJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.16
Rot. Bonds4

About N-(4-propyl-2-pyridinyl)prop-2-enamide

N-(4-propyl-2-pyridinyl)prop-2-enamide (PubChem CID 176981976) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(4-propyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-propyl-2-pyridinyl)prop-2-enamide
PubChem CID176981976
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(4-propyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(CCC)ccn1
InChIInChI=1S/C11H14N2O/c1-3-5-9-6-7-12-10(8-9)13-11(14)4-2/h4,6-8H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyOWPSMQZLOVXTMJ-UHFFFAOYSA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-propyl-2-pyridinyl)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

1-(4-propyl-2-pyridinyl)ethanone
CID 23003444
1-(4-propyl-2-pyridinyl)pentan-2-one
CID 123890630
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
CID 2812026
N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide
CID 166406906
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
4-bromo-N-(4-propyl-2-pyridinyl)benzamide;N-(4-propyl-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 158190314
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
CID 143056768
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
2-methyl-4-propylpyridine
CID 3358679
N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide
CID 121273694

Frequently Asked Questions

What is the IUPAC name of N-(4-propyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(4-propyl-2-pyridinyl)prop-2-enamide (CID 176981976) is N-(4-propyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(4-propyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(4-propyl-2-pyridinyl)prop-2-enamide is C=CC(=O)Nc1cc(CCC)ccn1.
What is the InChIKey of N-(4-propyl-2-pyridinyl)prop-2-enamide?
The InChIKey is OWPSMQZLOVXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-5-9-6-7-12-10(8-9)13-11(14)4-2/h4,6-8H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of N-(4-propyl-2-pyridinyl)prop-2-enamide?
N-(4-propyl-2-pyridinyl)prop-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 176981976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).