1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide

C12H18N4O — CID 79261566

IUPAC1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
SMILESCc1cccc(CN2CCNCC2C(N)=O)n1
InChIInChI=1S/C12H18N4O/c1-9-3-2-4-10(15-9)8-16-6-5-14-7-11(16)12(13)17/h2-4,11,14H,5-8H2,1H3,(H2,13,17)
InChIKeyKDZVKUVAZNTUEO-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.35
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide

1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide (PubChem CID 79261566) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
PubChem CID79261566
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
SMILESCc1cccc(CN2CCNCC2C(N)=O)n1
InChIInChI=1S/C12H18N4O/c1-9-3-2-4-10(15-9)8-16-6-5-14-7-11(16)12(13)17/h2-4,11,14H,5-8H2,1H3,(H2,13,17)
InChIKeyKDZVKUVAZNTUEO-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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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide (CID 79261566) is 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide is Cc1cccc(CN2CCNCC2C(N)=O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide?
The InChIKey is KDZVKUVAZNTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-3-2-4-10(15-9)8-16-6-5-14-7-11(16)12(13)17/h2-4,11,14H,5-8H2,1H3,(H2,13,17).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide?
1-[(6-methyl-2-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-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 79261566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).