N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide

C26H22N8O — CID 135345331

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC34CN(c3ncccc3C#N)C4)ncc2c(N)n1
InChIInChI=1S/C26H22N8O/c1-15-4-6-29-11-18(15)21-7-17-8-22(31-12-19(17)23(28)32-21)33-25(35)20-9-26(20)13-34(14-26)24-16(10-27)3-2-5-30-24/h2-8,11-12,20H,9,13-14H2,1H3,(H2,28,32)(H,31,33,35)
InChIKeyVZZPJMRRCZUFNX-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.31
Rot. Bonds4

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide (PubChem CID 135345331) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide
PubChem CID135345331
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC34CN(c3ncccc3C#N)C4)ncc2c(N)n1
InChIInChI=1S/C26H22N8O/c1-15-4-6-29-11-18(15)21-7-17-8-22(31-12-19(17)23(28)32-21)33-25(35)20-9-26(20)13-34(14-26)24-16(10-27)3-2-5-30-24/h2-8,11-12,20H,9,13-14H2,1H3,(H2,28,32)(H,31,33,35)
InChIKeyVZZPJMRRCZUFNX-UHFFFAOYSA-N
XLogP3.31
TPSA133.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide (CID 135345331) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)C3CC34CN(c3ncccc3C#N)C4)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide?
The InChIKey is VZZPJMRRCZUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-15-4-6-29-11-18(15)21-7-17-8-22(31-12-19(17)23(28)32-21)33-25(35)20-9-26(20)13-34(14-26)24-16(10-27)3-2-5-30-24/h2-8,11-12,20H,9,13-14H2,1H3,(H2,28,32)(H,31,33,35).
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 3.31, 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]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 135345331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).