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

C21H23N5O2S — CID 126467240

IUPAC2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H23N5O2S/c1-15-19(11-24-20(27)13-25-7-5-22-14-25)18-4-6-26(12-16(18)10-23-15)21(28)9-17-3-2-8-29-17/h2-3,5,7-8,10,14H,4,6,9,11-13H2,1H3,(H,24,27)
InChIKeyPITNBDLUTKKPHD-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.09
Rot. Bonds6

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

2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide (PubChem CID 126467240) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
PubChem CID126467240
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H23N5O2S/c1-15-19(11-24-20(27)13-25-7-5-22-14-25)18-4-6-26(12-16(18)10-23-15)21(28)9-17-3-2-8-29-17/h2-3,5,7-8,10,14H,4,6,9,11-13H2,1H3,(H,24,27)
InChIKeyPITNBDLUTKKPHD-UHFFFAOYSA-N
XLogP2.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide (CID 126467240) is 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide is Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
The InChIKey is PITNBDLUTKKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-15-19(11-24-20(27)13-25-7-5-22-14-25)18-4-6-26(12-16(18)10-23-15)21(28)9-17-3-2-8-29-17/h2-3,5,7-8,10,14H,4,6,9,11-13H2,1H3,(H,24,27).
What are the key properties of 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide?
2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide is sourced from PubChem (CID 126467240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).