N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide

C16H21N5O2 — CID 3065021

IUPACN-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2cccnc2c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-12(23)18-14-11-13-3-2-4-17-15(13)16(19-14)21-7-5-20(6-8-21)9-10-22/h2-4,11,22H,5-10H2,1H3,(H,18,19,23)
InChIKeyCGMXVFABDHCYOC-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.70
Rot. Bonds4

About N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide

N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide (PubChem CID 3065021) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide
PubChem CID3065021
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2cccnc2c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-12(23)18-14-11-13-3-2-4-17-15(13)16(19-14)21-7-5-20(6-8-21)9-10-22/h2-4,11,22H,5-10H2,1H3,(H,18,19,23)
InChIKeyCGMXVFABDHCYOC-UHFFFAOYSA-N
XLogP0.70
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide?
The IUPAC name of N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide (CID 3065021) is N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide.
What is the SMILES notation for N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide?
The canonical SMILES for N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide is CC(=O)Nc1cc2cccnc2c(N2CCN(CCO)CC2)n1.
What is the InChIKey of N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide?
The InChIKey is CGMXVFABDHCYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(23)18-14-11-13-3-2-4-17-15(13)16(19-14)21-7-5-20(6-8-21)9-10-22/h2-4,11,22H,5-10H2,1H3,(H,18,19,23).
What are the key properties of N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide?
N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide is sourced from PubChem (CID 3065021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).