5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

C24H28N6O2 — CID 170056342

IUPAC5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CCC43)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-3-16-11-19-20(28-23(16)31)10-15(12-26-19)14-29-8-9-30(22-7-6-21(22)29)17-4-5-18(27-13-17)24(32)25-2/h4-5,10-13,21-22H,3,6-9,14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeyCANZSPMXSMUSHQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.09
Rot. Bonds5

About 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170056342) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID170056342
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CCC43)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-3-16-11-19-20(28-23(16)31)10-15(12-26-19)14-29-8-9-30(22-7-6-21(22)29)17-4-5-18(27-13-17)24(32)25-2/h4-5,10-13,21-22H,3,6-9,14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeyCANZSPMXSMUSHQ-UHFFFAOYSA-N
XLogP2.09
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056542
5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056471
5-[5-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056684
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
5-[(1S,6R)-5-[(3-ethyl-8-methyl-2-oxo-1H-quinolin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056980
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
3-ethyl-7-[[(6R)-5-[6-(2-methyl-1H-imidazol-5-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 170056518
N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide
CID 168984419
3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 170060553
5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 170058837
N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide
CID 168984360
5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
CID 178063358

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (CID 170056342) is 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CCC43)cc2[nH]c1=O.
What is the InChIKey of 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is CANZSPMXSMUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-16-11-19-20(28-23(16)31)10-15(12-26-19)14-29-8-9-30(22-7-6-21(22)29)17-4-5-18(27-13-17)24(32)25-2/h4-5,10-13,21-22H,3,6-9,14H2,1-2H3,(H,25,32)(H,28,31).
What are the key properties of 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170056342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).