N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide

C26H25N5O3 — CID 66886982

IUPACN-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c(=O)c3c(Nc4ccc(N5CCOCC5)cc4)nccc23)cc1
InChIInChI=1S/C26H25N5O3/c1-27-25(32)18-4-2-17(3-5-18)22-16-29-26(33)23-21(22)10-11-28-24(23)30-19-6-8-20(9-7-19)31-12-14-34-15-13-31/h2-11,16H,12-15H2,1H3,(H,27,32)(H,28,30)(H,29,33)
InChIKeyHHFVIFIGYCKSAG-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide

N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide (PubChem CID 66886982) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide
PubChem CID66886982
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c(=O)c3c(Nc4ccc(N5CCOCC5)cc4)nccc23)cc1
InChIInChI=1S/C26H25N5O3/c1-27-25(32)18-4-2-17(3-5-18)22-16-29-26(33)23-21(22)10-11-28-24(23)30-19-6-8-20(9-7-19)31-12-14-34-15-13-31/h2-11,16H,12-15H2,1H3,(H,27,32)(H,28,30)(H,29,33)
InChIKeyHHFVIFIGYCKSAG-UHFFFAOYSA-N
XLogP3.53
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;8-(4-morpholin-4-ylanilino)-4-[4-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 143841169
8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093993
5-[4-(aminomethyl)phenyl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094662
6-(4-ethylpiperazin-1-yl)-8-(4-morpholin-4-ylanilino)-4-[4-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58094600
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[1-methyl-4-(1-oxo-2H-isoquinolin-4-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylbenzamide
CID 163574840
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367
4-[7-(4-ethylpiperazin-1-yl)-5-(4-morpholin-4-ylanilino)-4-oxo-3H-naphthalen-1-yl]-N-methylbenzamide
CID 174626756
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
N-(1-cyanocyclopropyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide
CID 25060415

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide?
The IUPAC name of N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide (CID 66886982) is N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide.
What is the SMILES notation for N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide?
The canonical SMILES for N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide is CNC(=O)c1ccc(-c2c[nH]c(=O)c3c(Nc4ccc(N5CCOCC5)cc4)nccc23)cc1.
What is the InChIKey of N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide?
The InChIKey is HHFVIFIGYCKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-27-25(32)18-4-2-17(3-5-18)22-16-29-26(33)23-21(22)10-11-28-24(23)30-19-6-8-20(9-7-19)31-12-14-34-15-13-31/h2-11,16H,12-15H2,1H3,(H,27,32)(H,28,30)(H,29,33).
What are the key properties of N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide?
N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide has a molecular weight of 455.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 66886982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).