1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide

C23H18F2N4O2 — CID 59362777

IUPAC1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(-c2cn[nH]c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H18F2N4O2/c24-20-7-6-16(10-21(20)25)14-29-8-2-5-19(23(29)31)22(30)26-11-15-3-1-4-17(9-15)18-12-27-28-13-18/h1-10,12-13H,11,14H2,(H,26,30)(H,27,28)
InChIKeyMQNVOAHTRZSONP-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.49
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 59362777) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID59362777
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(-c2cn[nH]c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H18F2N4O2/c24-20-7-6-16(10-21(20)25)14-29-8-2-5-19(23(29)31)22(30)26-11-15-3-1-4-17(9-15)18-12-27-28-13-18/h1-10,12-13H,11,14H2,(H,26,30)(H,27,28)
InChIKeyMQNVOAHTRZSONP-UHFFFAOYSA-N
XLogP3.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]boronic acid
CID 59362353
1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 149385628
1-[(3,4-difluorophenyl)methyl]-N-[[3-[4-ethenyl-5-(ethenylsulfanylamino)-1H-pyrrol-3-yl]phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 163574993
1-[(3,4-difluorophenyl)methyl]-N-[[3-(5-methoxy-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 70881503
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-[[4-(1H-pyrazol-4-yl)quinazolin-6-yl]methyl]pyrimidine-5-carboxamide
CID 67477873
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836
N-[[3-[1-(benzenesulfonyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362414
N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 67478051
2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665
N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
CID 66854523
1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-isoindol-5-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
CID 159081235

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide (CID 59362777) is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(-c2cn[nH]c2)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is MQNVOAHTRZSONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-20-7-6-16(10-21(20)25)14-29-8-2-5-19(23(29)31)22(30)26-11-15-3-1-4-17(9-15)18-12-27-28-13-18/h1-10,12-13H,11,14H2,(H,26,30)(H,27,28).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).