N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C14H17F3N2O — CID 95280380

IUPACN-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cn1
InChIInChI=1S/C14H17F3N2O/c1-9-3-4-12(7-18-9)13(20)19(8-14(15,16)17)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyFVVXNQUAHQUAOY-SNVBAGLBSA-N
MW286.30 g/mol
LogP3.19
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 95280380) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID95280380
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cn1
InChIInChI=1S/C14H17F3N2O/c1-9-3-4-12(7-18-9)13(20)19(8-14(15,16)17)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyFVVXNQUAHQUAOY-SNVBAGLBSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60939378
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 42915108
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106853406
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 63978005
1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 107496986

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 95280380) is N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cn1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is FVVXNQUAHQUAOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-3-4-12(7-18-9)13(20)19(8-14(15,16)17)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 95280380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).