2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O — CID 79868718

IUPAC2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCC1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-5-9(11(17)20)12(19-10)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,17,20)(H,18,19)
InChIKeyNQFRJYPBLKPFCV-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.80
Rot. Bonds4

About 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79868718) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79868718
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCC1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-5-9(11(17)20)12(19-10)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,17,20)(H,18,19)
InChIKeyNQFRJYPBLKPFCV-UHFFFAOYSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 66611880
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(thiolan-3-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107298316
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875668
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79868718) is 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NQFRJYPBLKPFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-6-5-9(11(17)20)12(19-10)18-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79868718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).