5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide

C22H33N3O4 — CID 71087532

IUPAC5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C
InChIInChI=1S/C22H33N3O4/c1-22(2,3)18(20(27)23-4)25-19(26)17-8-7-16(15-5-6-15)21(24-17)29-13-14-9-11-28-12-10-14/h7-8,14-15,18H,5-6,9-13H2,1-4H3,(H,23,27)(H,25,26)/t18-/m1/s1
InChIKeyBWKBSNKHBAZVMY-GOSISDBHSA-N
MW403.52 g/mol
LogP2.65
Rot. Bonds7

About 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087532) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087532
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C
InChIInChI=1S/C22H33N3O4/c1-22(2,3)18(20(27)23-4)25-19(26)17-8-7-16(15-5-6-15)21(24-17)29-13-14-9-11-28-12-10-14/h7-8,14-15,18H,5-6,9-13H2,1-4H3,(H,23,27)(H,25,26)/t18-/m1/s1
InChIKeyBWKBSNKHBAZVMY-GOSISDBHSA-N
XLogP2.65
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.65
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-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide (CID 71087532) is 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is BWKBSNKHBAZVMY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-22(2,3)18(20(27)23-4)25-19(26)17-8-7-16(15-5-6-15)21(24-17)29-13-14-9-11-28-12-10-14/h7-8,14-15,18H,5-6,9-13H2,1-4H3,(H,23,27)(H,25,26)/t18-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.65, 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-(oxan-4-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).