N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide

C22H23N5O2S — CID 127052383

IUPACN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CCNc1cc2c(cn1)cc(NC(=O)c1cc3ccccc3s1)c(=O)n2C
InChIInChI=1S/C22H23N5O2S/c1-26(2)9-8-23-20-12-17-15(13-24-20)10-16(22(29)27(17)3)25-21(28)19-11-14-6-4-5-7-18(14)30-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyAWBHTTNXESUPQA-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.37
Rot. Bonds6

About N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide

N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 127052383) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID127052383
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CCNc1cc2c(cn1)cc(NC(=O)c1cc3ccccc3s1)c(=O)n2C
InChIInChI=1S/C22H23N5O2S/c1-26(2)9-8-23-20-12-17-15(13-24-20)10-16(22(29)27(17)3)25-21(28)19-11-14-6-4-5-7-18(14)30-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyAWBHTTNXESUPQA-UHFFFAOYSA-N
XLogP3.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide (CID 127052383) is N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide is CN(C)CCNc1cc2c(cn1)cc(NC(=O)c1cc3ccccc3s1)c(=O)n2C.
What is the InChIKey of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is AWBHTTNXESUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-26(2)9-8-23-20-12-17-15(13-24-20)10-16(22(29)27(17)3)25-21(28)19-11-14-6-4-5-7-18(14)30-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,24)(H,25,28).
What are the key properties of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide?
N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 127052383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).