3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine

C24H26N6O — CID 141289768

IUPAC3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine
SMILESCc1cccnc1Nc1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)CNC=C2
InChIInChI=1S/C24H26N6O/c1-17-3-2-9-26-23(17)28-22-15-18-8-10-25-16-21(18)24(29-22)27-19-4-6-20(7-5-19)30-11-13-31-14-12-30/h2-10,15,25H,11-14,16H2,1H3,(H2,26,27,28,29)
InChIKeyWAHQJTOSALIWJN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.18
Rot. Bonds5

About 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine

3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine (PubChem CID 141289768) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine
PubChem CID141289768
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine
SMILESCc1cccnc1Nc1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)CNC=C2
InChIInChI=1S/C24H26N6O/c1-17-3-2-9-26-23(17)28-22-15-18-8-10-25-16-21(18)24(29-22)27-19-4-6-20(7-5-19)30-11-13-31-14-12-30/h2-10,15,25H,11-14,16H2,1H3,(H2,26,27,28,29)
InChIKeyWAHQJTOSALIWJN-UHFFFAOYSA-N
XLogP4.18
TPSA74.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68612814
4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine
CID 87514716
4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68613505
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081943
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269437
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine?
The IUPAC name of 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine (CID 141289768) is 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine.
What is the SMILES notation for 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine?
The canonical SMILES for 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine is Cc1cccnc1Nc1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)CNC=C2.
What is the InChIKey of 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine?
The InChIKey is WAHQJTOSALIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-3-2-9-26-23(17)28-22-15-18-8-10-25-16-21(18)24(29-22)27-19-4-6-20(7-5-19)30-11-13-31-14-12-30/h2-10,15,25H,11-14,16H2,1H3,(H2,26,27,28,29).
What are the key properties of 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine?
3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine has a molecular weight of 414.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine is sourced from PubChem (CID 141289768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).