2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide

C17H28N4O3 — CID 97367929

IUPAC2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
SMILESCN(C)CC(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C17H28N4O3/c1-20(2)12-16(22)18-9-15-17-14(5-8-24-15)11-21(19-17)10-13-3-6-23-7-4-13/h11,13,15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyJPBIHVYKOZIMHY-HNNXBMFYSA-N
MW336.44 g/mol
LogP0.60
Rot. Bonds6

About 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide

2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide (PubChem CID 97367929) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
PubChem CID97367929
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
SMILESCN(C)CC(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C17H28N4O3/c1-20(2)12-16(22)18-9-15-17-14(5-8-24-15)11-21(19-17)10-13-3-6-23-7-4-13/h11,13,15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyJPBIHVYKOZIMHY-HNNXBMFYSA-N
XLogP0.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide (CID 97367929) is 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide is CN(C)CC(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21.
What is the InChIKey of 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
The InChIKey is JPBIHVYKOZIMHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20(2)12-16(22)18-9-15-17-14(5-8-24-15)11-21(19-17)10-13-3-6-23-7-4-13/h11,13,15H,3-10,12H2,1-2H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide?
2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide is sourced from PubChem (CID 97367929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).