4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide

C13H11FN4O3 — CID 81238388

IUPAC4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C13H11FN4O3/c1-7-4-11(15)9(6-16-7)13(19)17-12-5-8(18(20)21)2-3-10(12)14/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyIMHJJKBEUCDMOH-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.27
Rot. Bonds3

About 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide

4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81238388) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
PubChem CID81238388
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C13H11FN4O3/c1-7-4-11(15)9(6-16-7)13(19)17-12-5-8(18(20)21)2-3-10(12)14/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyIMHJJKBEUCDMOH-UHFFFAOYSA-N
XLogP2.27
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870
4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235880
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
4-amino-N-(3-fluoro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81242532
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide (CID 81238388) is 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1.
What is the InChIKey of 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is IMHJJKBEUCDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-7-4-11(15)9(6-16-7)13(19)17-12-5-8(18(20)21)2-3-10(12)14/h2-6H,1H3,(H2,15,16)(H,17,19).
What are the key properties of 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81238388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).