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

C13H21N5O — CID 55215791

IUPAC5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ncc(N)cc2C(N)=O)CC1C
InChIInChI=1S/C13H21N5O/c1-3-17-4-5-18(8-9(17)2)13-11(12(15)19)6-10(14)7-16-13/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,19)
InChIKeyHOHPHBBXHCFTQY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.29
Rot. Bonds3

About 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide

5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 55215791) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID55215791
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ncc(N)cc2C(N)=O)CC1C
InChIInChI=1S/C13H21N5O/c1-3-17-4-5-18(8-9(17)2)13-11(12(15)19)6-10(14)7-16-13/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,19)
InChIKeyHOHPHBBXHCFTQY-UHFFFAOYSA-N
XLogP0.29
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 55215791) is 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2ncc(N)cc2C(N)=O)CC1C.
What is the InChIKey of 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is HOHPHBBXHCFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-17-4-5-18(8-9(17)2)13-11(12(15)19)6-10(14)7-16-13/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,19).
What are the key properties of 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide?
5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55215791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).