6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C13H21N5O — CID 83024382

IUPAC6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NN2CCN(C)CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-14-12-6-4-5-11(15-12)13(19)16-18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyMTHWWYMYYKUDMN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds4

About 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 83024382) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID83024382
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NN2CCN(C)CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-14-12-6-4-5-11(15-12)13(19)16-18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyMTHWWYMYYKUDMN-UHFFFAOYSA-N
XLogP0.41
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 83024382) is 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CCNc1cccc(C(=O)NN2CCN(C)CC2)n1.
What is the InChIKey of 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is MTHWWYMYYKUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-14-12-6-4-5-11(15-12)13(19)16-18-9-7-17(2)8-10-18/h4-6H,3,7-10H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 83024382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).