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

C13H21N5O — CID 83025254

IUPAC4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C13H21N5O/c1-3-14-11-4-5-15-12(10-11)13(19)16-18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyIDNWOEWYSPWDMQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds4

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

4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 83025254) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID83025254
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C13H21N5O/c1-3-14-11-4-5-15-12(10-11)13(19)16-18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyIDNWOEWYSPWDMQ-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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Related Compounds

4-amino-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024475
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024382
N-(4-methylpiperazin-1-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641991
N-ethyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516097
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 4065138
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
4-(ethylamino)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 62168412
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 9205834

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 83025254) is 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NN2CCN(C)CC2)c1.
What is the InChIKey of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is IDNWOEWYSPWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-14-11-4-5-15-12(10-11)13(19)16-18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
4-(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 4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 83025254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).