6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C24H33N7O3 — CID 18362838

IUPAC6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C24H33N7O3/c1-2-25-20-4-3-7-26-22(20)30-10-12-31(13-11-30)24(33)21-6-5-19(18-28-21)23(32)27-8-9-29-14-16-34-17-15-29/h3-7,18,25H,2,8-17H2,1H3,(H,27,32)
InChIKeyUMVPBHQMOKAHEW-UHFFFAOYSA-N
MW467.57 g/mol
LogP0.93
Rot. Bonds8

About 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 18362838) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID18362838
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C24H33N7O3/c1-2-25-20-4-3-7-26-22(20)30-10-12-31(13-11-30)24(33)21-6-5-19(18-28-21)23(32)27-8-9-29-14-16-34-17-15-29/h3-7,18,25H,2,8-17H2,1H3,(H,27,32)
InChIKeyUMVPBHQMOKAHEW-UHFFFAOYSA-N
XLogP0.93
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide 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 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 18362838) is 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1.
What is the InChIKey of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is UMVPBHQMOKAHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-2-25-20-4-3-7-26-22(20)30-10-12-31(13-11-30)24(33)21-6-5-19(18-28-21)23(32)27-8-9-29-14-16-34-17-15-29/h3-7,18,25H,2,8-17H2,1H3,(H,27,32).
What are the key properties of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18362838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).