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

C20H25N7O — CID 138587782

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C20H25N7O/c1-25-4-3-5-27(7-6-25)14-20(28)24-19-9-15-8-18(17-12-23-26(2)13-17)21-10-16(15)11-22-19/h8-13H,3-7,14H2,1-2H3,(H,22,24,28)
InChIKeyRYUALOJXJNXTRY-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.61
Rot. Bonds4

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

2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (PubChem CID 138587782) 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-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
PubChem CID138587782
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
SMILESCN1CCCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C20H25N7O/c1-25-4-3-5-27(7-6-25)14-20(28)24-19-9-15-8-18(17-12-23-26(2)13-17)21-10-16(15)11-22-19/h8-13H,3-7,14H2,1-2H3,(H,22,24,28)
InChIKeyRYUALOJXJNXTRY-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-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138588734
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 138587844
N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590190
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138587575
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 138589109
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide (CID 138587782) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is CN1CCCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
The InChIKey is RYUALOJXJNXTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-4-3-5-27(7-6-25)14-20(28)24-19-9-15-8-18(17-12-23-26(2)13-17)21-10-16(15)11-22-19/h8-13H,3-7,14H2,1-2H3,(H,22,24,28).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-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-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 138587782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).