N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide

C21H18N6O — CID 155478062

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C#N)C3)ncc2c(N)n1
InChIInChI=1S/C21H18N6O/c1-12-2-3-24-10-16(12)18-7-15-8-19(25-11-17(15)21(23)26-18)27-20(28)6-13-4-14(5-13)9-22/h2-3,6-8,10-11,14H,4-5H2,1H3,(H2,23,26)(H,25,27,28)/b13-6-
InChIKeyZXOUPIVNJBTLLM-MLPAPPSSSA-N
MW370.42 g/mol
LogP3.38
Rot. Bonds3

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide (PubChem CID 155478062) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide
PubChem CID155478062
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C#N)C3)ncc2c(N)n1
InChIInChI=1S/C21H18N6O/c1-12-2-3-24-10-16(12)18-7-15-8-19(25-11-17(15)21(23)26-18)27-20(28)6-13-4-14(5-13)9-22/h2-3,6-8,10-11,14H,4-5H2,1H3,(H2,23,26)(H,25,27,28)/b13-6-
InChIKeyZXOUPIVNJBTLLM-MLPAPPSSSA-N
XLogP3.38
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
1,6-Naphthyridine 28
CID 5330138
1,6-Naphthyridine 31
CID 5330141
N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
CID 146014962
trans-N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)-2-cyanocyclopropane-1-carboxamide
CID 140921451

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide (CID 155478062) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide is Cc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C#N)C3)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide?
The InChIKey is ZXOUPIVNJBTLLM-MLPAPPSSSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-2-3-24-10-16(12)18-7-15-8-19(25-11-17(15)21(23)26-18)27-20(28)6-13-4-14(5-13)9-22/h2-3,6-8,10-11,14H,4-5H2,1H3,(H2,23,26)(H,25,27,28)/b13-6-.
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide has a molecular weight of 370.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(3-cyanocyclobutylidene)acetamide is sourced from PubChem (CID 155478062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).