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

C20H22N4O3 — CID 136536033

IUPAC7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
SMILESO=C(c1ccncc1)N1CCCC(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1
InChIInChI=1S/C20H22N4O3/c25-18-17-13-24(11-6-14(17)5-9-22-18)20(27)16-2-1-10-23(12-16)19(26)15-3-7-21-8-4-15/h3-5,7-9,16H,1-2,6,10-13H2,(H,22,25)
InChIKeyXLFSPFAWORBQOL-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.21
Rot. Bonds2

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

7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one (PubChem CID 136536033) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
PubChem CID136536033
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
SMILESO=C(c1ccncc1)N1CCCC(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1
InChIInChI=1S/C20H22N4O3/c25-18-17-13-24(11-6-14(17)5-9-22-18)20(27)16-2-1-10-23(12-16)19(26)15-3-7-21-8-4-15/h3-5,7-9,16H,1-2,6,10-13H2,(H,22,25)
InChIKeyXLFSPFAWORBQOL-UHFFFAOYSA-N
XLogP1.21
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(3-nitrobenzoyl)piperidin-3-yl]methanone
CID 1423174

Frequently Asked Questions

What is the IUPAC name of 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The IUPAC name of 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one (CID 136536033) is 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The canonical SMILES for 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one is O=C(c1ccncc1)N1CCCC(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1.
What is the InChIKey of 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
The InChIKey is XLFSPFAWORBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-18-17-13-24(11-6-14(17)5-9-22-18)20(27)16-2-1-10-23(12-16)19(26)15-3-7-21-8-4-15/h3-5,7-9,16H,1-2,6,10-13H2,(H,22,25).
What are the key properties of 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one?
7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one has a molecular weight of 366.42 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 136536033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).