2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C12H16F3N3O — CID 62179572

IUPAC2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccn1
InChIInChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-4-5-17-10(6-9)16-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeySPJNFJMOYXUPOC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds4

About 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 62179572) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID62179572
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccn1
InChIInChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-4-5-17-10(6-9)16-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeySPJNFJMOYXUPOC-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
2-(methylamino)pyridine-4-carboxamide
CID 45084294

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 62179572) is 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(CC(F)(F)F)C(C)C)ccn1.
What is the InChIKey of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is SPJNFJMOYXUPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-4-5-17-10(6-9)16-3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62179572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).