6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C22H28N6O — CID 174612355

IUPAC6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESNCCNc1cc2c(c(Nc3ccc(C4CCNCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C22H28N6O/c23-8-12-26-20-13-17-7-11-25-19(14-29)21(17)22(28-20)27-18-3-1-15(2-4-18)16-5-9-24-10-6-16/h1-4,7,11,13-14,16,19,24-25H,5-6,8-10,12,23H2,(H2,26,27,28)
InChIKeyLSMZSDBXELGZQP-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.48
Rot. Bonds7

About 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612355) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612355
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESNCCNc1cc2c(c(Nc3ccc(C4CCNCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C22H28N6O/c23-8-12-26-20-13-17-7-11-25-19(14-29)21(17)22(28-20)27-18-3-1-15(2-4-18)16-5-9-24-10-6-16/h1-4,7,11,13-14,16,19,24-25H,5-6,8-10,12,23H2,(H2,26,27,28)
InChIKeyLSMZSDBXELGZQP-UHFFFAOYSA-N
XLogP2.48
TPSA104.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
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
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612162
8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612314
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-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
8-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-6-(2-methoxypyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269441

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612355) is 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is NCCNc1cc2c(c(Nc3ccc(C4CCNCC4)cc3)n1)C(C=O)NC=C2.
What is the InChIKey of 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is LSMZSDBXELGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c23-8-12-26-20-13-17-7-11-25-19(14-29)21(17)22(28-20)27-18-3-1-15(2-4-18)16-5-9-24-10-6-16/h1-4,7,11,13-14,16,19,24-25H,5-6,8-10,12,23H2,(H2,26,27,28).
What are the key properties of 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 392.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).