2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

C11H12F3N3O — CID 106218163

IUPAC2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O/c1-15-8-7(3-2-6-16-8)9(18)17-10(4-5-10)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyPOASDORUTMRJKE-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.95
Rot. Bonds3

About 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 106218163) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID106218163
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O/c1-15-8-7(3-2-6-16-8)9(18)17-10(4-5-10)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyPOASDORUTMRJKE-UHFFFAOYSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
6-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 106218147
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide (CID 106218163) is 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is CNc1ncccc1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is POASDORUTMRJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-15-8-7(3-2-6-16-8)9(18)17-10(4-5-10)11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide?
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 106218163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).