6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C19H26F3N3O3 — CID 71105658

IUPAC6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C19H26F3N3O3/c1-18(2,3)9-14(15(26)23-4)24-16(27)13-8-7-12(19(20,21)22)17(25-13)28-10-11-5-6-11/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyZEYVWHJGSVXOHI-AWEZNQCLSA-N
MW401.43 g/mol
LogP3.17
Rot. Bonds7

About 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 71105658) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID71105658
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C19H26F3N3O3/c1-18(2,3)9-14(15(26)23-4)24-16(27)13-8-7-12(19(20,21)22)17(25-13)28-10-11-5-6-11/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyZEYVWHJGSVXOHI-AWEZNQCLSA-N
XLogP3.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 71105658) is 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZEYVWHJGSVXOHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-18(2,3)9-14(15(26)23-4)24-16(27)13-8-7-12(19(20,21)22)17(25-13)28-10-11-5-6-11/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).