3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide

C24H23N7O3 — CID 135870890

IUPAC3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H23N7O3/c25-22(32)15-2-1-3-17(12-15)28-20-13-19-21(24(33)27-14-26-19)23(30-20)29-16-4-6-18(7-5-16)31-8-10-34-11-9-31/h1-7,12-14H,8-11H2,(H2,25,32)(H,26,27,33)(H2,28,29,30)
InChIKeyDWRLHOSAVHIHKZ-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.74
Rot. Bonds6

About 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide

3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide (PubChem CID 135870890) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
PubChem CID135870890
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H23N7O3/c25-22(32)15-2-1-3-17(12-15)28-20-13-19-21(24(33)27-14-26-19)23(30-20)29-16-4-6-18(7-5-16)31-8-10-34-11-9-31/h1-7,12-14H,8-11H2,(H2,25,32)(H,26,27,33)(H2,28,29,30)
InChIKeyDWRLHOSAVHIHKZ-UHFFFAOYSA-N
XLogP2.74
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870882
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
5-(1H-benzimidazol-4-yl)-6-methyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 175847932
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 66888308
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide?
The IUPAC name of 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide (CID 135870890) is 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide.
What is the SMILES notation for 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide?
The canonical SMILES for 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide is NC(=O)c1cccc(Nc2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide?
The InChIKey is DWRLHOSAVHIHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c25-22(32)15-2-1-3-17(12-15)28-20-13-19-21(24(33)27-14-26-19)23(30-20)29-16-4-6-18(7-5-16)31-8-10-34-11-9-31/h1-7,12-14H,8-11H2,(H2,25,32)(H,26,27,33)(H2,28,29,30).
What are the key properties of 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide?
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide has a molecular weight of 457.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide is sourced from PubChem (CID 135870890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).