13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide

C24H28N6O3 — CID 166138953

IUPAC13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
SMILESCCc1cc2ncc(CN3CCN4c5ccc(C(=O)NC)nc5COCC4C3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O3/c1-3-16-9-19-20(28-23(16)31)8-15(10-26-19)11-29-6-7-30-17(12-29)13-33-14-21-22(30)5-4-18(27-21)24(32)25-2/h4-5,8-10,17H,3,6-7,11-14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeyKDIVJSFAVWBRRL-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.46
Rot. Bonds4

About 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide

13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide (PubChem CID 166138953) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

Compound Name13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
PubChem CID166138953
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
SMILESCCc1cc2ncc(CN3CCN4c5ccc(C(=O)NC)nc5COCC4C3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O3/c1-3-16-9-19-20(28-23(16)31)8-15(10-26-19)11-29-6-7-30-17(12-29)13-33-14-21-22(30)5-4-18(27-21)24(32)25-2/h4-5,8-10,17H,3,6-7,11-14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeyKDIVJSFAVWBRRL-UHFFFAOYSA-N
XLogP1.46
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide with MolForge

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Related Compounds

5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171444918
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171445025
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-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171445034
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide
CID 171444980
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 175473204
3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179154
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
5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 171487955
6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
CID 170311157
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-N-methylpyridine-2-carboxamide
CID 175824639

Frequently Asked Questions

What is the IUPAC name of 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide?
The IUPAC name of 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide (CID 166138953) is 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide.
What is the SMILES notation for 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide?
The canonical SMILES for 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide is CCc1cc2ncc(CN3CCN4c5ccc(C(=O)NC)nc5COCC4C3)cc2[nH]c1=O.
What is the InChIKey of 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide?
The InChIKey is KDIVJSFAVWBRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-3-16-9-19-20(28-23(16)31)8-15(10-26-19)11-29-6-7-30-17(12-29)13-33-14-21-22(30)5-4-18(27-21)24(32)25-2/h4-5,8-10,17H,3,6-7,11-14H2,1-2H3,(H,25,32)(H,28,31).
What are the key properties of 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide?
13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 166138953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).