(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide

C18H18ClN3O — CID 90621335

IUPAC(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H18ClN3O/c19-15-7-4-14(5-8-15)6-9-18(23)21-16-10-12-22(13-16)17-3-1-2-11-20-17/h1-9,11,16H,10,12-13H2,(H,21,23)/b9-6+
InChIKeyUJWUGFIAUPEFJP-RMKNXTFCSA-N
MW327.82 g/mol
LogP3.14
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide (PubChem CID 90621335) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide
PubChem CID90621335
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H18ClN3O/c19-15-7-4-14(5-8-15)6-9-18(23)21-16-10-12-22(13-16)17-3-1-2-11-20-17/h1-9,11,16H,10,12-13H2,(H,21,23)/b9-6+
InChIKeyUJWUGFIAUPEFJP-RMKNXTFCSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.14
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

(E)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 99696678
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide (CID 90621335) is (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide?
The InChIKey is UJWUGFIAUPEFJP-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-15-7-4-14(5-8-15)6-9-18(23)21-16-10-12-22(13-16)17-3-1-2-11-20-17/h1-9,11,16H,10,12-13H2,(H,21,23)/b9-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide has a molecular weight of 327.82 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 90621335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).