(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H14F3N3O — CID 104742473

IUPAC(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)8-3-6-18(7-4-8)11(19)10-9(16)2-1-5-17-10/h1-2,5,8H,3-4,6-7,16H2
InChIKeyCTNAYJOUFAQLRA-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.08
Rot. Bonds1

About (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 104742473) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID104742473
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cccnc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)8-3-6-18(7-4-8)11(19)10-9(16)2-1-5-17-10/h1-2,5,8H,3-4,6-7,16H2
InChIKeyCTNAYJOUFAQLRA-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Pyridyl)nicotinamide
CID 202725
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
CID 69090444
3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
Diquat metabolite
CID 86209565
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
N-(4-fluoro-3-(trifluoromethyl)phenyl)picolinamide
CID 44191180
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
N-(3,4-difluorophenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24791780
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 25161578
N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 889116
5-(Trifluoromethyl)picolinamide
CID 4277056

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 104742473) is (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Nc1cccnc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is CTNAYJOUFAQLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)8-3-6-18(7-4-8)11(19)10-9(16)2-1-5-17-10/h1-2,5,8H,3-4,6-7,16H2.
What are the key properties of (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 273.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104742473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).