N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride

C17H19ClFN3O2 — CID 119811093

IUPACN-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C1CCNC1
InChIInChI=1S/C17H18FN3O2.ClH/c18-14-5-3-12(4-6-14)11-21-9-1-2-15(17(21)23)20-16(22)13-7-8-19-10-13;/h1-6,9,13,19H,7-8,10-11H2,(H,20,22);1H
InChIKeyMAQZKGIJJNIBMS-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.01
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119811093) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119811093
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C1CCNC1
InChIInChI=1S/C17H18FN3O2.ClH/c18-14-5-3-12(4-6-14)11-21-9-1-2-15(17(21)23)20-16(22)13-7-8-19-10-13;/h1-6,9,13,19H,7-8,10-11H2,(H,20,22);1H
InChIKeyMAQZKGIJJNIBMS-UHFFFAOYSA-N
XLogP2.01
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
CID 119811051
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811076
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102559471
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 71921798
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
CID 119811096
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119811093) is N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C1CCNC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MAQZKGIJJNIBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2.ClH/c18-14-5-3-12(4-6-14)11-21-9-1-2-15(17(21)23)20-16(22)13-7-8-19-10-13;/h1-6,9,13,19H,7-8,10-11H2,(H,20,22);1H.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 351.81 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).