5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide

C22H33N3O4 — CID 71087383

IUPAC5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
InChIKeyNLSYUGWDLJLVGG-PKHIMPSTSA-N
MW403.52 g/mol
LogP2.80
Rot. Bonds8

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

5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087383) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087383
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
InChIKeyNLSYUGWDLJLVGG-PKHIMPSTSA-N
XLogP2.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (CID 71087383) is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is NLSYUGWDLJLVGG-PKHIMPSTSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).