N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide

C21H25N5O3 — CID 127050210

IUPACN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cnc(NCCN(C)C)cc3n(C)c2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-25(2)10-9-22-19-12-18-15(13-23-19)11-17(21(28)26(18)3)24-20(27)14-5-7-16(29-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)(H,24,27)
InChIKeyMHHUFELRIDAPQH-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.17
Rot. Bonds7

About N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide

N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide (PubChem CID 127050210) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide
PubChem CID127050210
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cnc(NCCN(C)C)cc3n(C)c2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-25(2)10-9-22-19-12-18-15(13-23-19)11-17(21(28)26(18)3)24-20(27)14-5-7-16(29-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)(H,24,27)
InChIKeyMHHUFELRIDAPQH-UHFFFAOYSA-N
XLogP2.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-[3-[7-[3-(dimethylamino)propylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59833794
[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109153778
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891531
N-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153838
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide (CID 127050210) is N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc3cnc(NCCN(C)C)cc3n(C)c2=O)cc1.
What is the InChIKey of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide?
The InChIKey is MHHUFELRIDAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25(2)10-9-22-19-12-18-15(13-23-19)11-17(21(28)26(18)3)24-20(27)14-5-7-16(29-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)(H,24,27).
What are the key properties of N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide?
N-[7-[2-(dimethylamino)ethylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methoxybenzamide has a molecular weight of 395.46 g/mol, XLogP of 2.17, 7 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]-4-methoxybenzamide is sourced from PubChem (CID 127050210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).