2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide

C19H23N7O — CID 138591471

IUPAC2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C19H23N7O/c1-24-3-5-26(6-4-24)13-19(27)23-18-8-14-7-17(16-11-22-25(2)12-16)20-9-15(14)10-21-18/h7-12H,3-6,13H2,1-2H3,(H,21,23,27)
InChIKeyGWPFJNKDKPRCRM-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.22
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (PubChem CID 138591471) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
PubChem CID138591471
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C19H23N7O/c1-24-3-5-26(6-4-24)13-19(27)23-18-8-14-7-17(16-11-22-25(2)12-16)20-9-15(14)10-21-18/h7-12H,3-6,13H2,1-2H3,(H,21,23,27)
InChIKeyGWPFJNKDKPRCRM-UHFFFAOYSA-N
XLogP1.22
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (CID 138591471) is 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is CN1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The InChIKey is GWPFJNKDKPRCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-3-5-26(6-4-24)13-19(27)23-18-8-14-7-17(16-11-22-25(2)12-16)20-9-15(14)10-21-18/h7-12H,3-6,13H2,1-2H3,(H,21,23,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 138591471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).