N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide

C12H14N2O — CID 166416193

IUPACN-(3-pyridin-3-ylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(c2cccnc2)C1
InChIInChI=1S/C12H14N2O/c1-2-12(15)14-11-6-10(7-11)9-4-3-5-13-8-9/h2-5,8,10-11H,1,6-7H2,(H,14,15)
InChIKeyKSNGWCIKCSRCSW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.63
Rot. Bonds3

About N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide

N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide (PubChem CID 166416193) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-pyridin-3-ylcyclobutyl)prop-2-enamide
PubChem CID166416193
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(3-pyridin-3-ylcyclobutyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(c2cccnc2)C1
InChIInChI=1S/C12H14N2O/c1-2-12(15)14-11-6-10(7-11)9-4-3-5-13-8-9/h2-5,8,10-11H,1,6-7H2,(H,14,15)
InChIKeyKSNGWCIKCSRCSW-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.63
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

3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide
CID 154802434
cis-(2S,4S)-2-acetyl-4-pyridin-3-ylcyclohexan-1-one
CID 129387672
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
N-(3-sulfanylcyclobutyl)prop-2-enamide
CID 135183488
(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide
CID 146076745
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
CID 67133890
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
(2R,4R,6R)-1,6-dimethyl-4-pyridin-3-ylpiperidin-2-ol
CID 125449895
3-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-one
CID 174858264

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide?
The IUPAC name of N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide (CID 166416193) is N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide.
What is the SMILES notation for N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide?
The canonical SMILES for N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide is C=CC(=O)NC1CC(c2cccnc2)C1.
What is the InChIKey of N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide?
The InChIKey is KSNGWCIKCSRCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-12(15)14-11-6-10(7-11)9-4-3-5-13-8-9/h2-5,8,10-11H,1,6-7H2,(H,14,15).
What are the key properties of N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide?
N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide has a molecular weight of 202.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 166416193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).