N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide

C22H23N5O2 — CID 118755862

IUPACN-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccccc1-n1cccn1)C2
InChIInChI=1S/C22H23N5O2/c1-15-20(13-24-16(2)28)18-8-11-26(14-17(18)12-23-15)22(29)19-6-3-4-7-21(19)27-10-5-9-25-27/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,24,28)
InChIKeyGLVSZBCSZLZPCF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.41
Rot. Bonds4

About N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide

N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide (PubChem CID 118755862) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
PubChem CID118755862
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccccc1-n1cccn1)C2
InChIInChI=1S/C22H23N5O2/c1-15-20(13-24-16(2)28)18-8-11-26(14-17(18)12-23-15)22(29)19-6-3-4-7-21(19)27-10-5-9-25-27/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,24,28)
InChIKeyGLVSZBCSZLZPCF-UHFFFAOYSA-N
XLogP2.41
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide (CID 118755862) is N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide is CC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccccc1-n1cccn1)C2.
What is the InChIKey of N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The InChIKey is GLVSZBCSZLZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-20(13-24-16(2)28)18-8-11-26(14-17(18)12-23-15)22(29)19-6-3-4-7-21(19)27-10-5-9-25-27/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide is sourced from PubChem (CID 118755862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).