6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H27N7O — CID 175269497

IUPAC6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCNc1ncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C25H27N7O/c1-26-25-29-13-19(14-30-25)21-12-18-8-11-28-22(15-33)23(18)24(32-21)31-20-4-2-16(3-5-20)17-6-9-27-10-7-17/h2-5,8,11-15,17,22,27-28H,6-7,9-10H2,1H3,(H,31,32)(H,26,29,30)
InChIKeyOOZBGEUZRORBGC-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.60
Rot. Bonds6

About 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 175269497) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID175269497
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCNc1ncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C25H27N7O/c1-26-25-29-13-19(14-30-25)21-12-18-8-11-28-22(15-33)23(18)24(32-21)31-20-4-2-16(3-5-20)17-6-9-27-10-7-17/h2-5,8,11-15,17,22,27-28H,6-7,9-10H2,1H3,(H,31,32)(H,26,29,30)
InChIKeyOOZBGEUZRORBGC-UHFFFAOYSA-N
XLogP3.60
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612465
6-(3-hydroxyphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626845
6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612195
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269454
6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612355
8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612314
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784
8-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-piperidin-4-ylpyrazol-4-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626679
8-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-6-(2-methoxypyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269441
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612162

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 175269497) is 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is CNc1ncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)cn1.
What is the InChIKey of 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is OOZBGEUZRORBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-26-25-29-13-19(14-30-25)21-12-18-8-11-28-22(15-33)23(18)24(32-21)31-20-4-2-16(3-5-20)17-6-9-27-10-7-17/h2-5,8,11-15,17,22,27-28H,6-7,9-10H2,1H3,(H,31,32)(H,26,29,30).
What are the key properties of 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 441.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 175269497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).