N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide

C13H10F2N4O2 — CID 105380731

IUPACN-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N4O2/c14-10-9(5-6-17-11(10)15)12(20)18-7-1-3-8(4-2-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21)
InChIKeyLOSXJEMNSZNOGV-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide

N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380731) has the molecular formula C13H10F2N4O2 and a molecular weight of 292.25 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105380731
Molecular FormulaC13H10F2N4O2
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC NameN-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C13H10F2N4O2/c14-10-9(5-6-17-11(10)15)12(20)18-7-1-3-8(4-2-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21)
InChIKeyLOSXJEMNSZNOGV-UHFFFAOYSA-N
XLogP2.10
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380332
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488
2,3-difluoro-N-(1H-indazol-6-yl)pyridine-4-carboxamide
CID 105380728
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387967
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide (CID 105380731) is N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide is NC(=O)Nc1ccc(NC(=O)c2ccnc(F)c2F)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is LOSXJEMNSZNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2/c14-10-9(5-6-17-11(10)15)12(20)18-7-1-3-8(4-2-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide?
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).