N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C19H17F3N2O — CID 126809277

IUPACN-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)16-6-3-14(4-7-16)5-10-18(25)24(17-8-9-17)13-15-2-1-11-23-12-15/h1-7,10-12,17H,8-9,13H2
InChIKeyAXKXHPIBNWDLGM-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.30
Rot. Bonds5

About N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 126809277) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID126809277
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)16-6-3-14(4-7-16)5-10-18(25)24(17-8-9-17)13-15-2-1-11-23-12-15/h1-7,10-12,17H,8-9,13H2
InChIKeyAXKXHPIBNWDLGM-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 75510679
(E)-N-cyclopropyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004593
N-(1-cyclopentylpiperidin-4-yl)-N-[[6-(pyrimidin-4-ylamino)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 154210608
formic acid;(E)-N-[[5-[(3-methyl-4-pyridinyl)amino]-3-pyridinyl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 157174921
(E)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86272061
(E)-N-(1-cyclopentylpiperidin-4-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86272315
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
(E)-N-(1-cyclopentylpiperidin-4-yl)-N-[[6-[(2-methylpyrimidin-4-yl)amino]-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86272064
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
(E)-N-[[6-[(3-fluoro-4-pyridinyl)amino]-2-pyridinyl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 118675785

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 126809277) is N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is AXKXHPIBNWDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c20-19(21,22)16-6-3-14(4-7-16)5-10-18(25)24(17-8-9-17)13-15-2-1-11-23-12-15/h1-7,10-12,17H,8-9,13H2.
What are the key properties of N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 346.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126809277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).