N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide

C20H13F5N4O5 — CID 71144215

IUPACN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C20H13F5N4O5/c1-33-16-8-13(27-9-14(16)29(31)32)19(30)28-17(18-11(21)3-2-6-26-18)10-4-5-15(12(22)7-10)34-20(23,24)25/h2-9,17H,1H3,(H,28,30)
InChIKeyXXEUWQJRIBPPGC-UHFFFAOYSA-N
MW484.34 g/mol
LogP4.09
Rot. Bonds7

About N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide (PubChem CID 71144215) has the molecular formula C20H13F5N4O5 and a molecular weight of 484.34 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide
PubChem CID71144215
Molecular FormulaC20H13F5N4O5
Molecular Weight484.34 g/mol
Exact Mass484.08
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C20H13F5N4O5/c1-33-16-8-13(27-9-14(16)29(31)32)19(30)28-17(18-11(21)3-2-6-26-18)10-4-5-15(12(22)7-10)34-20(23,24)25/h2-9,17H,1H3,(H,28,30)
InChIKeyXXEUWQJRIBPPGC-UHFFFAOYSA-N
XLogP4.09
TPSA116.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Amg 333
CID 71144018
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 46178529
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridine-2-carboxamide
CID 56644113
5-[1-(4-methoxybenzoyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46942815
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 60172314
N-(1-amino-1-oxopropan-2-yl)-6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridine-2-carboxamide
CID 66666469
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-[4-(difluoromethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 70654817
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(difluoromethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 70654819
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 70654884
6-(2,6-difluoro-4-methoxyphenyl)-N-[4-[(4S)-1,1,1-trifluorooctan-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909328
(S)-N-((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)-4-hydroxy-5-nitropicolinamide
CID 71143959
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-nitro-4-oxo-1H-pyridine-2-carboxamide
CID 71143961

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide (CID 71144215) is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide is COc1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide?
The InChIKey is XXEUWQJRIBPPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O5/c1-33-16-8-13(27-9-14(16)29(31)32)19(30)28-17(18-11(21)3-2-6-26-18)10-4-5-15(12(22)7-10)34-20(23,24)25/h2-9,17H,1H3,(H,28,30).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide?
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide has a molecular weight of 484.34 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-methoxy-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 71144215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).