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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).