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

C16H17ClFN3O2 — CID 119811051

IUPAC1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C16H16FN3O2.ClH/c17-12-5-3-11(4-6-12)10-20-9-1-2-13(14(20)21)19-15(22)16(18)7-8-16;/h1-6,9H,7-8,10,18H2,(H,19,22);1H
InChIKeyNLSHBMJSEHDOLU-UHFFFAOYSA-N
MW337.78 g/mol
LogP1.89
Rot. Bonds4

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

1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119811051) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119811051
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C16H16FN3O2.ClH/c17-12-5-3-11(4-6-12)10-20-9-1-2-13(14(20)21)19-15(22)16(18)7-8-16;/h1-6,9H,7-8,10,18H2,(H,19,22);1H
InChIKeyNLSHBMJSEHDOLU-UHFFFAOYSA-N
XLogP1.89
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
CID 119811096
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119811093
2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 71921798
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273
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
1-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119323050
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
cis-(1S,3R)-2,2-dimethyl-3-[[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066426
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride (CID 119811051) is 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NLSHBMJSEHDOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2.ClH/c17-12-5-3-11(4-6-12)10-20-9-1-2-13(14(20)21)19-15(22)16(18)7-8-16;/h1-6,9H,7-8,10,18H2,(H,19,22);1H.
What are the key properties of 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 337.78 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119811051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).