N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide

C16H15F3N4O3 — CID 133301188

IUPACN-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1
InChIInChI=1S/C16H15F3N4O3/c1-10-2-5-14(21-9-10)22-15(24)6-7-20-13-4-3-11(23(25)26)8-12(13)16(17,18)19/h2-5,8-9,20H,6-7H2,1H3,(H,21,22,24)
InChIKeyKFJFNZSZEJHUIG-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.76
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide

N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide (PubChem CID 133301188) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
PubChem CID133301188
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1
InChIInChI=1S/C16H15F3N4O3/c1-10-2-5-14(21-9-10)22-15(24)6-7-20-13-4-3-11(23(25)26)8-12(13)16(17,18)19/h2-5,8-9,20H,6-7H2,1H3,(H,21,22,24)
InChIKeyKFJFNZSZEJHUIG-UHFFFAOYSA-N
XLogP3.76
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.76
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-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
CID 133301141
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 133301195
4-nitro-2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63227270
N-[4-nitro-2-(trifluoromethyl)phenyl]-N'-propan-2-ylethane-1,2-diamine
CID 62665379
N-(2-methylsulfonylethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 60925778
N'-[4-nitro-2-(trifluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 166210430
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
N-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethanesulfonamide
CID 106337802
N-(2-ethylsulfinylethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 115631429
N-(4-methylsulfanylbutyl)-4-nitro-2-(trifluoromethyl)aniline
CID 115637419
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide (CID 133301188) is N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide is Cc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
The InChIKey is KFJFNZSZEJHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-10-2-5-14(21-9-10)22-15(24)6-7-20-13-4-3-11(23(25)26)8-12(13)16(17,18)19/h2-5,8-9,20H,6-7H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide?
N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide has a molecular weight of 368.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 133301188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).