5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide

C21H31N3O4 — CID 71087679

IUPAC5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(C)(C)C
InChIInChI=1S/C21H31N3O4/c1-21(2,3)17(19(26)22-4)24-18(25)16-10-9-15(13-7-8-13)20(23-16)28-12-14-6-5-11-27-14/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,22,26)(H,24,25)/t14?,17-/m1/s1
InChIKeyJHZBJIARSBGHJQ-FBMWCMRBSA-N
MW389.50 g/mol
LogP2.41
Rot. Bonds7

About 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087679) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087679
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(C)(C)C
InChIInChI=1S/C21H31N3O4/c1-21(2,3)17(19(26)22-4)24-18(25)16-10-9-15(13-7-8-13)20(23-16)28-12-14-6-5-11-27-14/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,22,26)(H,24,25)/t14?,17-/m1/s1
InChIKeyJHZBJIARSBGHJQ-FBMWCMRBSA-N
XLogP2.41
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.41
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)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (CID 71087679) is 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is JHZBJIARSBGHJQ-FBMWCMRBSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-21(2,3)17(19(26)22-4)24-18(25)16-10-9-15(13-7-8-13)20(23-16)28-12-14-6-5-11-27-14/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,22,26)(H,24,25)/t14?,17-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).