N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide

C13H11FN4O3 — CID 107595456

IUPACN-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H11FN4O3/c1-15-8-2-3-12(18(20)21)9(6-8)13(19)17-11-4-5-16-7-10(11)14/h2-7,15H,1H3,(H,16,17,19)
InChIKeyUHBSBSZJNWOJHR-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.42
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide

N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide (PubChem CID 107595456) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
PubChem CID107595456
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H11FN4O3/c1-15-8-2-3-12(18(20)21)9(6-8)13(19)17-11-4-5-16-7-10(11)14/h2-7,15H,1H3,(H,16,17,19)
InChIKeyUHBSBSZJNWOJHR-UHFFFAOYSA-N
XLogP2.42
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.42
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

5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide (CID 107595456) is N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2F)c1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide?
The InChIKey is UHBSBSZJNWOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-15-8-2-3-12(18(20)21)9(6-8)13(19)17-11-4-5-16-7-10(11)14/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide?
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 107595456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).