5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C18H21N5O2 — CID 109104414

IUPAC5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)18(25)15-10-14(11-19-12-15)17(24)21-13-16-4-2-3-5-20-16/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)
InChIKeyPFJJBQKOVNOYBB-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.79
Rot. Bonds4

About 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109104414) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109104414
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)18(25)15-10-14(11-19-12-15)17(24)21-13-16-4-2-3-5-20-16/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)
InChIKeyPFJJBQKOVNOYBB-UHFFFAOYSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)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

Related Compounds

3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109104414) is 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is CN1CCN(C(=O)c2cncc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PFJJBQKOVNOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)18(25)15-10-14(11-19-12-15)17(24)21-13-16-4-2-3-5-20-16/h2-5,10-12H,6-9,13H2,1H3,(H,21,24).
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).