N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C13H20N4O — CID 3040782

IUPACN-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1N1CCN(C)CC1
InChIInChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18)
InChIKeyKCRYVRIFQJRTDD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.58
Rot. Bonds3

About N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 3040782) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID3040782
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1N1CCN(C)CC1
InChIInChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18)
InChIKeyKCRYVRIFQJRTDD-UHFFFAOYSA-N
XLogP0.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 3040782) is N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CCNC(=O)c1cccnc1N1CCN(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KCRYVRIFQJRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3040782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).