1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide

C23H17F2N5O3 — CID 59234654

IUPAC1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1ccc(=O)n(-c2c(F)cccc2F)c1
InChIInChI=1S/C23H17F2N5O3/c1-13-5-6-14(22(32)28-19-9-10-26-29-19)11-18(13)27-23(33)15-7-8-20(31)30(12-15)21-16(24)3-2-4-17(21)25/h2-12H,1H3,(H,27,33)(H2,26,28,29,32)
InChIKeyUJWKGXKTLOHEKY-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.65
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide

1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 59234654) has the molecular formula C23H17F2N5O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID59234654
Molecular FormulaC23H17F2N5O3
Molecular Weight449.42 g/mol
Exact Mass449.13
IUPAC Name1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1ccc(=O)n(-c2c(F)cccc2F)c1
InChIInChI=1S/C23H17F2N5O3/c1-13-5-6-14(22(32)28-19-9-10-26-29-19)11-18(13)27-23(33)15-7-8-20(31)30(12-15)21-16(24)3-2-4-17(21)25/h2-12H,1H3,(H,27,33)(H2,26,28,29,32)
InChIKeyUJWKGXKTLOHEKY-UHFFFAOYSA-N
XLogP3.65
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide (CID 59234654) is 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1ccc(=O)n(-c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is UJWKGXKTLOHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3/c1-13-5-6-14(22(32)28-19-9-10-26-29-19)11-18(13)27-23(33)15-7-8-20(31)30(12-15)21-16(24)3-2-4-17(21)25/h2-12H,1H3,(H,27,33)(H2,26,28,29,32).
What are the key properties of 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 449.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 59234654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).