3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide

C19H19ClN2O2 — CID 72689438

IUPAC3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccnc(OCC2CC2)c1
InChIInChI=1S/C19H19ClN2O2/c20-17-6-3-14(4-7-17)5-8-18(23)22-12-16-9-10-21-19(11-16)24-13-15-1-2-15/h3-11,15H,1-2,12-13H2,(H,22,23)
InChIKeyHIKIXFQEKNSBGV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.85
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide

3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide (PubChem CID 72689438) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
PubChem CID72689438
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccnc(OCC2CC2)c1
InChIInChI=1S/C19H19ClN2O2/c20-17-6-3-14(4-7-17)5-8-18(23)22-12-16-9-10-21-19(11-16)24-13-15-1-2-15/h3-11,15H,1-2,12-13H2,(H,22,23)
InChIKeyHIKIXFQEKNSBGV-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
N-cyclopropyl-4-[(E)-3-oxo-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]prop-1-enyl]benzamide
CID 39502934
(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 75407392
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98161909
(E)-N-[(2-methoxy-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 55531534
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide (CID 72689438) is 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCc1ccnc(OCC2CC2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide?
The InChIKey is HIKIXFQEKNSBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-17-6-3-14(4-7-17)5-8-18(23)22-12-16-9-10-21-19(11-16)24-13-15-1-2-15/h3-11,15H,1-2,12-13H2,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide has a molecular weight of 342.83 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 72689438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).