8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C21H17N3O — CID 174612331

IUPAC8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(-c3ccccc3)cnc(Nc3ccccc3)c21
InChIInChI=1S/C21H17N3O/c25-14-19-20-17(11-12-22-19)18(15-7-3-1-4-8-15)13-23-21(20)24-16-9-5-2-6-10-16/h1-14,19,22H,(H,23,24)
InChIKeyXTKBYARUZLRBSZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.31
Rot. Bonds4

About 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612331) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612331
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(-c3ccccc3)cnc(Nc3ccccc3)c21
InChIInChI=1S/C21H17N3O/c25-14-19-20-17(11-12-22-19)18(15-7-3-1-4-8-15)13-23-21(20)24-16-9-5-2-6-10-16/h1-14,19,22H,(H,23,24)
InChIKeyXTKBYARUZLRBSZ-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175267077
8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626568
8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612142
8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626644
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626666
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612314
2-[4-(hydroxymethyl)phenyl]-3-phenyl-7,8-dihydro-1,7-naphthyridine-8-carbaldehyde
CID 174544852
2-N,4-diphenylpyridine-2,3-diamine
CID 59346194
6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626567

Frequently Asked Questions

What is the IUPAC name of 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612331) is 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2c(-c3ccccc3)cnc(Nc3ccccc3)c21.
What is the InChIKey of 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is XTKBYARUZLRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-14-19-20-17(11-12-22-19)18(15-7-3-1-4-8-15)13-23-21(20)24-16-9-5-2-6-10-16/h1-14,19,22H,(H,23,24).
What are the key properties of 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 327.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).