N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C12H14ClF3N2O2 — CID 114909335

IUPACN-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14ClF3N2O2/c1-18(6-9(13)7-20-2)11(19)10-4-3-8(5-17-10)12(14,15)16/h3-5,9H,6-7H2,1-2H3
InChIKeyUYFSAYXRYJHZPP-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.43
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114909335) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114909335
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14ClF3N2O2/c1-18(6-9(13)7-20-2)11(19)10-4-3-8(5-17-10)12(14,15)16/h3-5,9H,6-7H2,1-2H3
InChIKeyUYFSAYXRYJHZPP-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909425
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
N-(2-chloro-3-methoxypropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63398167
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 124571272
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114909335) is N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is COCC(Cl)CN(C)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UYFSAYXRYJHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-18(6-9(13)7-20-2)11(19)10-4-3-8(5-17-10)12(14,15)16/h3-5,9H,6-7H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 310.70 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114909335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).