N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide

C23H22N8O — CID 155477902

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide
SMILESCc1ncn(C2CC(=CC(=O)Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)C2)n1
InChIInChI=1S/C23H22N8O/c1-13-3-4-25-10-18(13)20-8-16-9-21(26-11-19(16)23(24)28-20)29-22(32)7-15-5-17(6-15)31-12-27-14(2)30-31/h3-4,7-12,17H,5-6H2,1-2H3,(H2,24,28)(H,26,29,32)/b15-7-
InChIKeyZOJUZMDKTQZIHQ-CHHVJCJISA-N
MW426.48 g/mol
LogP3.38
Rot. Bonds4

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide (PubChem CID 155477902) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide
PubChem CID155477902
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide
SMILESCc1ncn(C2CC(=CC(=O)Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)C2)n1
InChIInChI=1S/C23H22N8O/c1-13-3-4-25-10-18(13)20-8-16-9-21(26-11-19(16)23(24)28-20)29-22(32)7-15-5-17(6-15)31-12-27-14(2)30-31/h3-4,7-12,17H,5-6H2,1-2H3,(H2,24,28)(H,26,29,32)/b15-7-
InChIKeyZOJUZMDKTQZIHQ-CHHVJCJISA-N
XLogP3.38
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide
CID 155477917
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
CID 155477816
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-[3-(1-methylimidazol-4-yl)cyclobutylidene]acetamide
CID 155478279
(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
CID 155477820
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide (CID 155477902) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide is Cc1ncn(C2CC(=CC(=O)Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)C2)n1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide?
The InChIKey is ZOJUZMDKTQZIHQ-CHHVJCJISA-N. The full InChI is InChI=1S/C23H22N8O/c1-13-3-4-25-10-18(13)20-8-16-9-21(26-11-19(16)23(24)28-20)29-22(32)7-15-5-17(6-15)31-12-27-14(2)30-31/h3-4,7-12,17H,5-6H2,1-2H3,(H2,24,28)(H,26,29,32)/b15-7-.
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide has a molecular weight of 426.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide is sourced from PubChem (CID 155477902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).