4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

C13H11F3N4O — CID 141441781

IUPAC4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESNCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(N)=O
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)11-2-1-7(5-20-11)10-3-8(4-17)9(6-19-10)12(18)21/h1-3,5-6H,4,17H2,(H2,18,21)
InChIKeyKOXYSMWPBAEAJJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.72
Rot. Bonds3

About 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 141441781) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID141441781
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESNCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(N)=O
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)11-2-1-7(5-20-11)10-3-8(4-17)9(6-19-10)12(18)21/h1-3,5-6H,4,17H2,(H2,18,21)
InChIKeyKOXYSMWPBAEAJJ-UHFFFAOYSA-N
XLogP1.72
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-[[5-carbamoyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 118008912
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
2-amino-2,2-dideuterio-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]acetamide
CID 118222658
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
methyl 6-(aminomethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 118008295
6-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 118008383
2-[2-[4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenyl]benzoic acid
CID 118577213
methyl 4-(aminomethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate;methyl 4-cyano-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate;hydrochloride
CID 157103254
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 151240746
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 178126543
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 141441781) is 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1C(N)=O.
What is the InChIKey of 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is KOXYSMWPBAEAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)11-2-1-7(5-20-11)10-3-8(4-17)9(6-19-10)12(18)21/h1-3,5-6H,4,17H2,(H2,18,21).
What are the key properties of 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 141441781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).