N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C16H29N5O2 — CID 122564967

About N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 122564967) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 122564967
• Molecular Formula: C16H29N5O2
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.23
• IUPAC Name: N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CCn1nc(CO)c2c1CCN(C(=O)NCCC(C)N(C)C)C2
• InChI: InChI=1S/C16H29N5O2/c1-5-21-15-7-9-20(10-13(15)14(11-22)18-21)16(23)17-8-6-12(2)19(3)4/h12,22H,5-11H2,1-4H3,(H,17,23)
• InChIKey: XGGCFLQYNSYABJ-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 73.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 122564967) is N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCn1nc(CO)c2c1CCN(C(=O)NCCC(C)N(C)C)C2.

What is the InChIKey of N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is XGGCFLQYNSYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-5-21-15-7-9-20(10-13(15)14(11-22)18-21)16(23)17-8-6-12(2)19(3)4/h12,22H,5-11H2,1-4H3,(H,17,23).

What are the key properties of N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)butyl]-1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 122564967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).