5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H16F3N3O — CID 63723207

IUPAC5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C12H16F3N3O/c1-2-5-18(8-12(13,14)15)11(19)10-4-3-9(6-16)7-17-10/h3-4,7H,2,5-6,8,16H2,1H3
InChIKeyUSLQHAUBVSKEIV-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.95
Rot. Bonds5

About 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 63723207) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID63723207
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C12H16F3N3O/c1-2-5-18(8-12(13,14)15)11(19)10-4-3-9(6-16)7-17-10/h3-4,7H,2,5-6,8,16H2,1H3
InChIKeyUSLQHAUBVSKEIV-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 107374760
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107492296
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107396959

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 63723207) is 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is USLQHAUBVSKEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-5-18(8-12(13,14)15)11(19)10-4-3-9(6-16)7-17-10/h3-4,7H,2,5-6,8,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).