(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide

C19H19F2N3O2 — CID 38853151

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19F2N3O2/c20-19(21)26-16-6-2-1-5-14(16)7-10-18(25)23-15-8-9-17(22-13-15)24-11-3-4-12-24/h1-2,5-10,13,19H,3-4,11-12H2,(H,23,25)/b10-7+
InChIKeyVPWOZWSJLXBNGI-JXMROGBWSA-N
MW359.38 g/mol
LogP3.94
Rot. Bonds6

About (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 38853151) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID38853151
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19F2N3O2/c20-19(21)26-16-6-2-1-5-14(16)7-10-18(25)23-15-8-9-17(22-13-15)24-11-3-4-12-24/h1-2,5-10,13,19H,3-4,11-12H2,(H,23,25)/b10-7+
InChIKeyVPWOZWSJLXBNGI-JXMROGBWSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide
CID 16602936
N-[4-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 24601687
(E)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16596504
3-[2-(difluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708638
(E)-4-oxo-4-[(6-piperidin-1-yl-3-pyridinyl)amino]but-2-enoic acid
CID 60941834
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597489
N-methyl-4-[(E)-3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]prop-1-enyl]benzamide
CID 46450744
1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701062
(E)-3-[2-(difluoromethoxy)phenyl]-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
CID 134019456
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 36824573
(E)-N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 46053202
3-[2-(difluoromethoxy)phenyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)prop-2-enamide
CID 103599180

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide (CID 38853151) is (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is VPWOZWSJLXBNGI-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-19(21)26-16-6-2-1-5-14(16)7-10-18(25)23-15-8-9-17(22-13-15)24-11-3-4-12-24/h1-2,5-10,13,19H,3-4,11-12H2,(H,23,25)/b10-7+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 359.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 38853151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).