4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide

C23H41N7O3 — CID 55809181

IUPAC4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C23H41N7O3/c1-3-27(4-2)14-7-12-24-21(31)19-10-17-28(18-11-19)22(32)25-13-8-16-30-23(33)29-15-6-5-9-20(29)26-30/h19H,3-18H2,1-2H3,(H,24,31)(H,25,32)
InChIKeyMKNQIAXMQQSOKF-UHFFFAOYSA-N
MW463.63 g/mol
LogP1.04
Rot. Bonds11

About 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide

4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide (PubChem CID 55809181) has the molecular formula C23H41N7O3 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide
PubChem CID55809181
Molecular FormulaC23H41N7O3
Molecular Weight463.63 g/mol
Exact Mass463.33
IUPAC Name4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C23H41N7O3/c1-3-27(4-2)14-7-12-24-21(31)19-10-17-28(18-11-19)22(32)25-13-8-16-30-23(33)29-15-6-5-9-20(29)26-30/h19H,3-18H2,1-2H3,(H,24,31)(H,25,32)
InChIKeyMKNQIAXMQQSOKF-UHFFFAOYSA-N
XLogP1.04
TPSA104.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide (CID 55809181) is 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide is CCN(CC)CCCNC(=O)C1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is MKNQIAXMQQSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N7O3/c1-3-27(4-2)14-7-12-24-21(31)19-10-17-28(18-11-19)22(32)25-13-8-16-30-23(33)29-15-6-5-9-20(29)26-30/h19H,3-18H2,1-2H3,(H,24,31)(H,25,32).
What are the key properties of 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide?
4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 463.63 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55809181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).