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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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
CID 103598072
propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
CID 11148208
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide
CID 87037908
N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[3-methyl-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]butanamide
CID 6474666
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75463833
(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 95318709
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887
(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
CID 111444784

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).