N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide

C13H20N4O — CID 63265506

IUPACN-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1ccncc1
InChIInChI=1S/C13H20N4O/c1-16(10-11-17-8-6-15-7-9-17)13(18)12-2-4-14-5-3-12/h2-5,15H,6-11H2,1H3
InChIKeyFZOBERNCHAMCRC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.06
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide

N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 63265506) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
PubChem CID63265506
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1ccncc1
InChIInChI=1S/C13H20N4O/c1-16(10-11-17-8-6-15-7-9-17)13(18)12-2-4-14-5-3-12/h2-5,15H,6-11H2,1H3
InChIKeyFZOBERNCHAMCRC-UHFFFAOYSA-N
XLogP0.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide (CID 63265506) is N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide is CN(CCN1CCNCC1)C(=O)c1ccncc1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is FZOBERNCHAMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(10-11-17-8-6-15-7-9-17)13(18)12-2-4-14-5-3-12/h2-5,15H,6-11H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide?
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 63265506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).