1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one

C22H18N4O3 — CID 18002620

IUPAC1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccccn2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H18N4O3/c27-22-17(6-3-9-18-8-1-2-12-23-18)14-16-7-5-13-24-21(16)25(22)19-10-4-11-20(15-19)26(28)29/h1-2,4-5,7-8,10-15H,3,6,9H2
InChIKeyYYUHRNLBBAMSKD-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one

1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one (PubChem CID 18002620) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one
PubChem CID18002620
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccccn2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H18N4O3/c27-22-17(6-3-9-18-8-1-2-12-23-18)14-16-7-5-13-24-21(16)25(22)19-10-4-11-20(15-19)26(28)29/h1-2,4-5,7-8,10-15H,3,6,9H2
InChIKeyYYUHRNLBBAMSKD-UHFFFAOYSA-N
XLogP3.86
TPSA90.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one
CID 18002631
1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
CID 18002648
2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724113
1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
CID 10132162
1-(3-nitrophenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12764179
1-(2,1,3-benzothiadiazol-5-yl)-3-(3-pyridin-3-ylpropyl)-1,8-naphthyridin-2-one
CID 12985864
6-(3-nitrophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 154155220
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
CID 14423208
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 5041268

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one (CID 18002620) is 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one is O=c1c(CCCc2ccccn2)cc2cccnc2n1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one?
The InChIKey is YYUHRNLBBAMSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-22-17(6-3-9-18-8-1-2-12-23-18)14-16-7-5-13-24-21(16)25(22)19-10-4-11-20(15-19)26(28)29/h1-2,4-5,7-8,10-15H,3,6,9H2.
What are the key properties of 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one?
1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one has a molecular weight of 386.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 18002620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).