N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide

C16H14FN3O4 — CID 90020028

IUPACN-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1
InChIInChI=1S/C16H14FN3O4/c1-19(16(21)10-2-3-10)15-9-12(6-7-18-15)24-14-5-4-11(20(22)23)8-13(14)17/h4-10H,2-3H2,1H3
InChIKeyMKYXIMYUXBUWDK-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide

N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide (PubChem CID 90020028) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
PubChem CID90020028
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC NameN-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1
InChIInChI=1S/C16H14FN3O4/c1-19(16(21)10-2-3-10)15-9-12(6-7-18-15)24-14-5-4-11(20(22)23)8-13(14)17/h4-10H,2-3H2,1H3
InChIKeyMKYXIMYUXBUWDK-UHFFFAOYSA-N
XLogP3.29
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
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

1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methylurea
CID 23153320
(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59822966
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
amino-[4-(2-methyl-4-nitrophenoxy)-2-pyridinyl]carbamic acid
CID 174556870
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23153163
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 86602173
tert-butyl N-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-N-methylcarbamate
CID 59852957
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
methyl 5-(2-fluoro-4-nitrophenoxy)-2-nitrobenzoate
CID 133302543
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
N-[6-(2-fluoro-4-nitrophenoxy)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58158621
tert-butyl 4-[(2-fluoro-4-nitrophenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 170749381

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide (CID 90020028) is N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1.
What is the InChIKey of N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide?
The InChIKey is MKYXIMYUXBUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-19(16(21)10-2-3-10)15-9-12(6-7-18-15)24-14-5-4-11(20(22)23)8-13(14)17/h4-10H,2-3H2,1H3.
What are the key properties of N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide?
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 90020028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).