(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide

C23H23N5O2 — CID 158742081

IUPAC(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1
InChIInChI=1S/C23H23N5O2/c1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t17-,23-/m0/s1
InChIKeyDTANQONXSOQFIS-SBUREZEXSA-N
MW401.47 g/mol
LogP3.04
Rot. Bonds3

About (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide

(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 158742081) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID158742081
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1
InChIInChI=1S/C23H23N5O2/c1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t17-,23-/m0/s1
InChIKeyDTANQONXSOQFIS-SBUREZEXSA-N
XLogP3.04
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-6-oxo-7-azaspiro[2.6]nonane-2-carboxamide
CID 139468767
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-methylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 157415108
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide
CID 160702404
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 158533102
(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 158074691
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
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
[(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 (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide (CID 158742081) is (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1.
What is the InChIKey of (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DTANQONXSOQFIS-SBUREZEXSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t17-,23-/m0/s1.
What are the key properties of (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide?
(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 158742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).