6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

C13H20N4O — CID 43600318

IUPAC6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cn1
InChIInChI=1S/C13H20N4O/c1-11-2-3-12(10-16-11)13(18)15-6-9-17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18)
InChIKeyIQQTZPVCQJDTJX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.03
Rot. Bonds4

About 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 43600318) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
PubChem CID43600318
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cn1
InChIInChI=1S/C13H20N4O/c1-11-2-3-12(10-16-11)13(18)15-6-9-17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18)
InChIKeyIQQTZPVCQJDTJX-UHFFFAOYSA-N
XLogP0.03
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119446105
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119449154
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (CID 43600318) is 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCN2CCNCC2)cn1.
What is the InChIKey of 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is IQQTZPVCQJDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11-2-3-12(10-16-11)13(18)15-6-9-17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18).
What are the key properties of 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43600318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).