N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide

C13H18N2O — CID 139018818

IUPACN-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCCC)nc1C
InChIInChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(10(3)14-11)15-13(16)5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,15,16)
InChIKeyZGUOWKMFFQBKKM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.86
Rot. Bonds5

About N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide

N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 139018818) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide
PubChem CID139018818
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCCC)nc1C
InChIInChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(10(3)14-11)15-13(16)5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,15,16)
InChIKeyZGUOWKMFFQBKKM-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide (CID 139018818) is N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1ccc(CCCC)nc1C.
What is the InChIKey of N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is ZGUOWKMFFQBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-6-7-11-8-9-12(10(3)14-11)15-13(16)5-2/h5,8-9H,2,4,6-7H2,1,3H3,(H,15,16).
What are the key properties of N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide?
N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-2-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 139018818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).