4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

C15H14F3N3O — CID 66706887

IUPAC4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-2-1-7-20-13(12)9-21-14(22)11-5-3-10(8-19)4-6-11/h1-7H,8-9,19H2,(H,21,22)
InChIKeyOTPLUDSOIBBIOH-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.49
Rot. Bonds4

About 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (PubChem CID 66706887) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
PubChem CID66706887
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-2-1-7-20-13(12)9-21-14(22)11-5-3-10(8-19)4-6-11/h1-7H,8-9,19H2,(H,21,22)
InChIKeyOTPLUDSOIBBIOH-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (CID 66706887) is 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is NCc1ccc(C(=O)NCc2ncccc2C(F)(F)F)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The InChIKey is OTPLUDSOIBBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)12-2-1-7-20-13(12)9-21-14(22)11-5-3-10(8-19)4-6-11/h1-7H,8-9,19H2,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 66706887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).