N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide

C27H31FN4O5 — CID 143223818

IUPACN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide
SMILESCN(CCO)C(=O)C1CC1.Cc1ccc(NC=O)cc1.O=CNc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C12H9FN2O2.C8H9NO.C7H13NO2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;1-7-2-4-8(5-3-7)9-6-10;1-8(4-5-9)7(10)6-2-3-6/h1-8H,(H,14,16);2-6H,1H3,(H,9,10);6,9H,2-5H2,1H3
InChIKeyZBGWOQWNLWMQHF-UHFFFAOYSA-N
MW510.57 g/mol
LogP2.96
Rot. Bonds8

About N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide

N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide (PubChem CID 143223818) has the molecular formula C27H31FN4O5 and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide
PubChem CID143223818
Molecular FormulaC27H31FN4O5
Molecular Weight510.57 g/mol
Exact Mass510.23
IUPAC NameN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide
SMILESCN(CCO)C(=O)C1CC1.Cc1ccc(NC=O)cc1.O=CNc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C12H9FN2O2.C8H9NO.C7H13NO2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;1-7-2-4-8(5-3-7)9-6-10;1-8(4-5-9)7(10)6-2-3-6/h1-8H,(H,14,16);2-6H,1H3,(H,9,10);6,9H,2-5H2,1H3
InChIKeyZBGWOQWNLWMQHF-UHFFFAOYSA-N
XLogP2.96
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223777
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223895
N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
CID 143223901
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223779
(3S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-3-carboxamide
CID 58748182
N-(2,3-dihydroxypropyl)-N-methylcyclopropanecarboxamide;(Z)-N-ethenyl-N-(3-fluoro-4-formamidophenyl)but-2-enamide;N-(4-methylphenyl)formamide
CID 143223800
trans-(1S,2S)-4-(ethylsulfonylamino)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-N-(4-methylphenyl)cyclopentane-1,2-dicarboxamide
CID 71025416
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
2-[(3S,4S)-3-amino-4-[2-(dimethylamino)-2-oxoethoxy]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647166

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide?
The IUPAC name of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide (CID 143223818) is N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide.
What is the SMILES notation for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide?
The canonical SMILES for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide is CN(CCO)C(=O)C1CC1.Cc1ccc(NC=O)cc1.O=CNc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide?
The InChIKey is ZBGWOQWNLWMQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2.C8H9NO.C7H13NO2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;1-7-2-4-8(5-3-7)9-6-10;1-8(4-5-9)7(10)6-2-3-6/h1-8H,(H,14,16);2-6H,1H3,(H,9,10);6,9H,2-5H2,1H3.
What are the key properties of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide?
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide has a molecular weight of 510.57 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide is sourced from PubChem (CID 143223818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).