4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide

C21H21N5O2 — CID 109087215

IUPAC4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N5O2/c1-26(13-8-16-5-10-22-11-6-16)21(28)17-7-12-24-19(14-17)20(27)25-15-18-4-2-3-9-23-18/h2-7,9-12,14H,8,13,15H2,1H3,(H,25,27)
InChIKeyHIRMFJBXADOBPS-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.12
Rot. Bonds7

About 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087215) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087215
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N5O2/c1-26(13-8-16-5-10-22-11-6-16)21(28)17-7-12-24-19(14-17)20(27)25-15-18-4-2-3-9-23-18/h2-7,9-12,14H,8,13,15H2,1H3,(H,25,27)
InChIKeyHIRMFJBXADOBPS-UHFFFAOYSA-N
XLogP2.12
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide with MolForge

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Related Compounds

4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
4-N-methyl-4-N-phenyl-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087239
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087215) is 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is CN(CCc1ccncc1)C(=O)c1ccnc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is HIRMFJBXADOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26(13-8-16-5-10-22-11-6-16)21(28)17-7-12-24-19(14-17)20(27)25-15-18-4-2-3-9-23-18/h2-7,9-12,14H,8,13,15H2,1H3,(H,25,27).
What are the key properties of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).