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

C23H35N3O4 — CID 71087531

IUPAC5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1
InChIInChI=1S/C23H35N3O4/c1-23(2,3)13-19(20(27)24-4)25-21(28)18-8-7-17(16-5-6-16)22(26-18)30-14-15-9-11-29-12-10-15/h7-8,15-16,19H,5-6,9-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyVBTVZKKVPYJKPB-IBGZPJMESA-N
MW417.55 g/mol
LogP3.05
Rot. Bonds8

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

5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087531) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087531
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1
InChIInChI=1S/C23H35N3O4/c1-23(2,3)13-19(20(27)24-4)25-21(28)18-8-7-17(16-5-6-16)22(26-18)30-14-15-9-11-29-12-10-15/h7-8,15-16,19H,5-6,9-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyVBTVZKKVPYJKPB-IBGZPJMESA-N
XLogP3.05
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.05
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-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide (CID 71087531) is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is VBTVZKKVPYJKPB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H35N3O4/c1-23(2,3)13-19(20(27)24-4)25-21(28)18-8-7-17(16-5-6-16)22(26-18)30-14-15-9-11-29-12-10-15/h7-8,15-16,19H,5-6,9-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 3.05, 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-(oxan-4-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).