N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide

C15H18N2O — CID 71890538

IUPACN-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccccn1)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O/c18-14(9-8-13-3-1-2-10-16-13)17-15(11-4-5-11)12-6-7-12/h1-3,8-12,15H,4-7H2,(H,17,18)
InChIKeyDTKVJSSUWHCFON-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.40
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide

N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 71890538) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID71890538
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccccn1)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O/c18-14(9-8-13-3-1-2-10-16-13)17-15(11-4-5-11)12-6-7-12/h1-3,8-12,15H,4-7H2,(H,17,18)
InChIKeyDTKVJSSUWHCFON-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.40
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-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide (CID 71890538) is N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide is O=C(C=Cc1ccccn1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is DTKVJSSUWHCFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-14(9-8-13-3-1-2-10-16-13)17-15(11-4-5-11)12-6-7-12/h1-3,8-12,15H,4-7H2,(H,17,18).
What are the key properties of N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide?
N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 242.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 71890538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).