(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

(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905

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).