8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C26H27N7O2 — CID 174612195

IUPAC8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cnc(N)nc4)cc4c3C(C=O)NC=C4)cc2)CC1
InChIInChI=1S/C26H27N7O2/c1-16(35)33-10-7-18(8-11-33)17-2-4-21(5-3-17)31-25-24-19(6-9-28-23(24)15-34)12-22(32-25)20-13-29-26(27)30-14-20/h2-6,9,12-15,18,23,28H,7-8,10-11H2,1H3,(H,31,32)(H2,27,29,30)
InChIKeyGJHJCNJFZHQYMW-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.40
Rot. Bonds5

About 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612195) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612195
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cnc(N)nc4)cc4c3C(C=O)NC=C4)cc2)CC1
InChIInChI=1S/C26H27N7O2/c1-16(35)33-10-7-18(8-11-33)17-2-4-21(5-3-17)31-25-24-19(6-9-28-23(24)15-34)12-22(32-25)20-13-29-26(27)30-14-20/h2-6,9,12-15,18,23,28H,7-8,10-11H2,1H3,(H,31,32)(H2,27,29,30)
InChIKeyGJHJCNJFZHQYMW-UHFFFAOYSA-N
XLogP3.40
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclohexylcarbamoyl-pyridin-3-yl)-amide
CID 58548318
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
US10251893, Cpd 51
CID 46926891
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(propan-2-ylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036504
Pyrido[2,3-d]pyrimidin-7-one deriv. 53
CID 5328649
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225303
2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308147
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide
CID 67308518
2-(3-(6-(dimethylamino)pyridin-3-yl)phenyl)-N-(4-(2-methylpyridin-4-yl)-phenyl)propanamide
CID 67309244
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]propanamide
CID 72545566

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612195) is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnc(N)nc4)cc4c3C(C=O)NC=C4)cc2)CC1.
What is the InChIKey of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is GJHJCNJFZHQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-16(35)33-10-7-18(8-11-33)17-2-4-21(5-3-17)31-25-24-19(6-9-28-23(24)15-34)12-22(32-25)20-13-29-26(27)30-14-20/h2-6,9,12-15,18,23,28H,7-8,10-11H2,1H3,(H,31,32)(H2,27,29,30).
What are the key properties of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 469.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).