10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile

C18H16N4O — CID 769574

IUPAC10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)ncc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C18H16N4O/c19-10-13-16-14(11-20-18(13)22-8-4-1-5-9-22)17(23)12-6-2-3-7-15(12)21-16/h2-3,6-7,11H,1,4-5,8-9H2,(H,21,23)
InChIKeyMTZUYEUHMUMRGS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.94
Rot. Bonds1

About 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile

10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile (PubChem CID 769574) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile
PubChem CID769574
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)ncc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C18H16N4O/c19-10-13-16-14(11-20-18(13)22-8-4-1-5-9-22)17(23)12-6-2-3-7-15(12)21-16/h2-3,6-7,11H,1,4-5,8-9H2,(H,21,23)
InChIKeyMTZUYEUHMUMRGS-UHFFFAOYSA-N
XLogP2.94
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974957
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
4-[[1-(5-Cyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 46208354
4-[[1-(4-Cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 46209051
4-(2-Carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 154701267
N-(2-carbamoylphenyl)-2-(piperidin-1-yl)pyridine-3-carboxamide
CID 2997445
2-[3-[4-(2-cyanophenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10500734
3-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzonitrile
CID 57388819
[6-(4-Aminopiperidin-1-yl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
CID 57690790
4-amino-6-[1-(6-fluoro-4-oxo-3-phenyl-1H-quinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 59634638
US10308615, Example 118
CID 124112178
(2S,4R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-N-ethyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132006958

Frequently Asked Questions

What is the IUPAC name of 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile?
The IUPAC name of 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile (CID 769574) is 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile.
What is the SMILES notation for 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile?
The canonical SMILES for 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile is N#Cc1c(N2CCCCC2)ncc2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile?
The InChIKey is MTZUYEUHMUMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-10-13-16-14(11-20-18(13)22-8-4-1-5-9-22)17(23)12-6-2-3-7-15(12)21-16/h2-3,6-7,11H,1,4-5,8-9H2,(H,21,23).
What are the key properties of 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile?
10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-3-piperidin-1-yl-5H-benzo[b][1,6]naphthyridine-4-carbonitrile is sourced from PubChem (CID 769574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).