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

C20H25N7O — CID 138589540

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C20H25N7O/c1-25-6-3-7-27(9-8-25)14-20(28)24-19-10-18-15(11-21-19)4-5-17(23-18)16-12-22-26(2)13-16/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,21,24,28)
InChIKeyMQCZVDUXIOCFLS-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.61
Rot. Bonds4

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

2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide (PubChem CID 138589540) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
PubChem CID138589540
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C20H25N7O/c1-25-6-3-7-27(9-8-25)14-20(28)24-19-10-18-15(11-21-19)4-5-17(23-18)16-12-22-26(2)13-16/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,21,24,28)
InChIKeyMQCZVDUXIOCFLS-UHFFFAOYSA-N
XLogP1.61
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138587782
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
2-(4-methylmorpholin-2-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138587881
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589895
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide (CID 138589540) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide is CN1CCCN(CC(=O)Nc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is MQCZVDUXIOCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-6-3-7-27(9-8-25)14-20(28)24-19-10-18-15(11-21-19)4-5-17(23-18)16-12-22-26(2)13-16/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,21,24,28).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 379.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 138589540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).