N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C19H20F3N3O5 — CID 134026408

IUPACN-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H20F3N3O5/c1-3-7-29-15-9-13(14(25(27)28)10-16(15)30-8-4-2)24-18(26)12-5-6-17(23-11-12)19(20,21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeySASNQEWAXLYHAF-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.84
Rot. Bonds9

About N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 134026408) has the molecular formula C19H20F3N3O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID134026408
Molecular FormulaC19H20F3N3O5
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC NameN-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H20F3N3O5/c1-3-7-29-15-9-13(14(25(27)28)10-16(15)30-8-4-2)24-18(26)12-5-6-17(23-11-12)19(20,21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeySASNQEWAXLYHAF-UHFFFAOYSA-N
XLogP4.84
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 170551767
N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56506850
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
4-methyl-N-(2-nitro-4,5-dipropoxyphenyl)-1,3-thiazole-5-carboxamide
CID 60531309
N-(4,5-diethoxy-2-nitrophenyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 112818690
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 134026408) is N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCOc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SASNQEWAXLYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5/c1-3-7-29-15-9-13(14(25(27)28)10-16(15)30-8-4-2)24-18(26)12-5-6-17(23-11-12)19(20,21)22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134026408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).