6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide

C16H27N5O — CID 122558859

IUPAC6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide
SMILESCCN1CCN(C(C)(C)CNc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C16H27N5O/c1-4-20-8-10-21(11-9-20)16(2,3)12-18-14-7-5-6-13(19-14)15(17)22/h5-7H,4,8-12H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyPZUBKZMNUSZMOX-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.01
Rot. Bonds6

About 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide

6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide (PubChem CID 122558859) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide
PubChem CID122558859
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide
SMILESCCN1CCN(C(C)(C)CNc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C16H27N5O/c1-4-20-8-10-21(11-9-20)16(2,3)12-18-14-7-5-6-13(19-14)15(17)22/h5-7H,4,8-12H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyPZUBKZMNUSZMOX-UHFFFAOYSA-N
XLogP1.01
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide (CID 122558859) is 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide is CCN1CCN(C(C)(C)CNc2cccc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide?
The InChIKey is PZUBKZMNUSZMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-20-8-10-21(11-9-20)16(2,3)12-18-14-7-5-6-13(19-14)15(17)22/h5-7H,4,8-12H2,1-3H3,(H2,17,22)(H,18,19).
What are the key properties of 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide?
6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 122558859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).