N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide

C14H11F2N3O2 — CID 105380697

IUPACN-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11F2N3O2/c1-7-6-8(13(17)20)2-3-10(7)19-14(21)9-4-5-18-12(16)11(9)15/h2-6H,1H3,(H2,17,20)(H,19,21)
InChIKeyCJRITNSDIPTZLH-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.02
Rot. Bonds3

About N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide

N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380697) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380697
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11F2N3O2/c1-7-6-8(13(17)20)2-3-10(7)19-14(21)9-4-5-18-12(16)11(9)15/h2-6H,1H3,(H2,17,20)(H,19,21)
InChIKeyCJRITNSDIPTZLH-UHFFFAOYSA-N
XLogP2.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide (CID 105380697) is N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide is Cc1cc(C(N)=O)ccc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is CJRITNSDIPTZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-7-6-8(13(17)20)2-3-10(7)19-14(21)9-4-5-18-12(16)11(9)15/h2-6H,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).