4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile

C27H26N6O — CID 151453562

IUPAC4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5cnc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)22-5-4-20-14-19(2-3-21(20)15-22)6-8-29-25-7-9-30-26-18-31-23(17-28)16-24(25)26/h2-5,7,9,14-16,18H,6,8,10-13H2,1H3,(H,29,30)
InChIKeyPGZFTBQGGPJUHJ-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.70
Rot. Bonds5

About 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile

4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile (PubChem CID 151453562) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
PubChem CID151453562
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5cnc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)22-5-4-20-14-19(2-3-21(20)15-22)6-8-29-25-7-9-30-26-18-31-23(17-28)16-24(25)26/h2-5,7,9,14-16,18H,6,8,10-13H2,1H3,(H,29,30)
InChIKeyPGZFTBQGGPJUHJ-UHFFFAOYSA-N
XLogP3.70
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile 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

[6-[2-[(6-iodoquinolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711582
4-[2-[6-(4-propan-2-ylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
CID 147881461
[6-[2-[(6-isocyano-1,8-naphthyridin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711599
N-[4-[6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]naphthalene-2-carbonyl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 162464897
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
tert-butyl 4-[6-[2-[(6-isocyanoquinolin-4-yl)amino]ethyl]naphthalene-2-carbonyl]piperazine-1-carboxylate
CID 153455087
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
[6-[2-[(6-iodoquinazolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 162343380
2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 146403454
4-bromo-6-isocyanoquinoline;6-iodo-1H-quinolin-4-one;bis([6-[2-[(6-isocyanoquinolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone)
CID 164990739
2-[2,2-dimethylpropyl-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]amino]pyrimidine-4-carbonitrile
CID 168991205

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile?
The IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile (CID 151453562) is 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile.
What is the SMILES notation for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile?
The canonical SMILES for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile is CN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5cnc(C#N)cc45)ccc3c2)CC1.
What is the InChIKey of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile?
The InChIKey is PGZFTBQGGPJUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)22-5-4-20-14-19(2-3-21(20)15-22)6-8-29-25-7-9-30-26-18-31-23(17-28)16-24(25)26/h2-5,7,9,14-16,18H,6,8,10-13H2,1H3,(H,29,30).
What are the key properties of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile?
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile has a molecular weight of 450.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile is sourced from PubChem (CID 151453562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).