N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C19H22N8O — CID 56755377

IUPACN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2cccc(-n3cnnc3)n2)CC1
InChIInChI=1S/C19H22N8O/c1-25-8-10-26(11-9-25)18-15(4-3-7-20-18)12-21-19(28)16-5-2-6-17(24-16)27-13-22-23-14-27/h2-7,13-14H,8-12H2,1H3,(H,21,28)
InChIKeyGMPOUQKCJNVROH-UHFFFAOYSA-N
MW378.44 g/mol
LogP0.74
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 56755377) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID56755377
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2cccc(-n3cnnc3)n2)CC1
InChIInChI=1S/C19H22N8O/c1-25-8-10-26(11-9-25)18-15(4-3-7-20-18)12-21-19(28)16-5-2-6-17(24-16)27-13-22-23-14-27/h2-7,13-14H,8-12H2,1H3,(H,21,28)
InChIKeyGMPOUQKCJNVROH-UHFFFAOYSA-N
XLogP0.74
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 56755377) is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is CN1CCN(c2ncccc2CNC(=O)c2cccc(-n3cnnc3)n2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is GMPOUQKCJNVROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-25-8-10-26(11-9-25)18-15(4-3-7-20-18)12-21-19(28)16-5-2-6-17(24-16)27-13-22-23-14-27/h2-7,13-14H,8-12H2,1H3,(H,21,28).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56755377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).