N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide

C18H20FN3O3 — CID 67287131

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)[nH]c(=O)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O3/c1-12-9-15(22-5-7-25-8-6-22)21-18(24)16(12)17(23)20-11-13-3-2-4-14(19)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRQHMRUSMKSMBOD-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.59
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 67287131) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID67287131
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)[nH]c(=O)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O3/c1-12-9-15(22-5-7-25-8-6-22)21-18(24)16(12)17(23)20-11-13-3-2-4-14(19)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRQHMRUSMKSMBOD-UHFFFAOYSA-N
XLogP1.59
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286889
2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286796
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxomorpholin-4-yl)pyridine-3-carboxamide
CID 67287229
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459
N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 67286979
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide
CID 56962525
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide (CID 67287131) is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(N2CCOCC2)[nH]c(=O)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RQHMRUSMKSMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-9-15(22-5-7-25-8-6-22)21-18(24)16(12)17(23)20-11-13-3-2-4-14(19)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 67287131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).