1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide

C12H18N4O — CID 102877783

IUPAC1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide
SMILESCc1cncc(CN2CCNCC2C(N)=O)c1
InChIInChI=1S/C12H18N4O/c1-9-4-10(6-15-5-9)8-16-3-2-14-7-11(16)12(13)17/h4-6,11,14H,2-3,7-8H2,1H3,(H2,13,17)
InChIKeyOYVINQJYHRPXEU-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.35
Rot. Bonds3

About 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide

1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide (PubChem CID 102877783) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide
PubChem CID102877783
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide
SMILESCc1cncc(CN2CCNCC2C(N)=O)c1
InChIInChI=1S/C12H18N4O/c1-9-4-10(6-15-5-9)8-16-3-2-14-7-11(16)12(13)17/h4-6,11,14H,2-3,7-8H2,1H3,(H2,13,17)
InChIKeyOYVINQJYHRPXEU-UHFFFAOYSA-N
XLogP-0.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
[4-(2-Phenylamino-acetyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 9997078
5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323654
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907210
N-(pyridin-3-ylmethyl)ethanediamide
CID 3145117
N-sec-Butyl-N'-pyridin-4-ylmethyl-oxalamide
CID 3149552
N-[2-(Diethylamino)ethyl]-N'-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017344
N1-(2-(dimethylamino)ethyl)-N2-(2-(4-phenylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)oxalamide
CID 16017350
N-(4-ethylphenyl)-N'-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanediamide
CID 16017565
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methylpyridin-4-yl)methyl]acetamide
CID 16187813
2-[1-(3,4-difluorobenzyl)-3-oxopiperazin-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 16191289
2-[4-[2-(1-Phenylethylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile;hydrochloride
CID 45262015

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide (CID 102877783) is 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide is Cc1cncc(CN2CCNCC2C(N)=O)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide?
The InChIKey is OYVINQJYHRPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-10(6-15-5-9)8-16-3-2-14-7-11(16)12(13)17/h4-6,11,14H,2-3,7-8H2,1H3,(H2,13,17).
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide?
1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 102877783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).