7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one

C23H21N5O4 — CID 154840189

IUPAC7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
SMILESO=C(c1cncc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1)N1CCc2cc[nH]c(=O)c2C1
InChIInChI=1S/C23H21N5O4/c29-20-18-12-27(7-3-14(18)1-5-25-20)22(31)16-9-17(11-24-10-16)23(32)28-8-4-15-2-6-26-21(30)19(15)13-28/h1-2,5-6,9-11H,3-4,7-8,12-13H2,(H,25,29)(H,26,30)
InChIKeyMASXNGRSPMCQLY-UHFFFAOYSA-N
MW431.45 g/mol
LogP0.86
Rot. Bonds2

About 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one

7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one (PubChem CID 154840189) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
PubChem CID154840189
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
SMILESO=C(c1cncc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1)N1CCc2cc[nH]c(=O)c2C1
InChIInChI=1S/C23H21N5O4/c29-20-18-12-27(7-3-14(18)1-5-25-20)22(31)16-9-17(11-24-10-16)23(32)28-8-4-15-2-6-26-21(30)19(15)13-28/h1-2,5-6,9-11H,3-4,7-8,12-13H2,(H,25,29)(H,26,30)
InChIKeyMASXNGRSPMCQLY-UHFFFAOYSA-N
XLogP0.86
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one with MolForge

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Related Compounds

7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
CID 136536033
N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide
CID 166422239
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063
4-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
CID 89483533
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104785439
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324

Frequently Asked Questions

What is the IUPAC name of 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The IUPAC name of 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one (CID 154840189) is 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The canonical SMILES for 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one is O=C(c1cncc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1)N1CCc2cc[nH]c(=O)c2C1.
What is the InChIKey of 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The InChIKey is MASXNGRSPMCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c29-20-18-12-27(7-3-14(18)1-5-25-20)22(31)16-9-17(11-24-10-16)23(32)28-8-4-15-2-6-26-21(30)19(15)13-28/h1-2,5-6,9-11H,3-4,7-8,12-13H2,(H,25,29)(H,26,30).
What are the key properties of 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one has a molecular weight of 431.45 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)pyridine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 154840189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).