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

C21H31N3O4 — CID 71087615

IUPAC5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C21H31N3O4/c1-13(2)11-18(19(25)22-3)23-20(26)17-9-8-16(14-6-7-14)21(24-17)28-12-15-5-4-10-27-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3,(H,22,25)(H,23,26)/t15?,18-/m0/s1
InChIKeyHFQIXSJGSFSITI-PKHIMPSTSA-N
MW389.50 g/mol
LogP2.41
Rot. Bonds9

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

5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087615) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087615
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
InChIInChI=1S/C21H31N3O4/c1-13(2)11-18(19(25)22-3)23-20(26)17-9-8-16(14-6-7-14)21(24-17)28-12-15-5-4-10-27-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3,(H,22,25)(H,23,26)/t15?,18-/m0/s1
InChIKeyHFQIXSJGSFSITI-PKHIMPSTSA-N
XLogP2.41
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (CID 71087615) is 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is HFQIXSJGSFSITI-PKHIMPSTSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-13(2)11-18(19(25)22-3)23-20(26)17-9-8-16(14-6-7-14)21(24-17)28-12-15-5-4-10-27-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3,(H,22,25)(H,23,26)/t15?,18-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.41, 9 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-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).