7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C14H13N3O2 — CID 156865063

IUPAC7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(c1cccnc1)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C14H13N3O2/c18-13-6-10-3-5-17(9-12(10)8-16-13)14(19)11-2-1-4-15-7-11/h1-2,4,6-8H,3,5,9H2,(H,16,18)
InChIKeyFQROYPQMZFFTAO-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.97
Rot. Bonds1

About 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 156865063) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID156865063
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(c1cccnc1)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C14H13N3O2/c18-13-6-10-3-5-17(9-12(10)8-16-13)14(19)11-2-1-4-15-7-11/h1-2,4,6-8H,3,5,9H2,(H,16,18)
InChIKeyFQROYPQMZFFTAO-UHFFFAOYSA-N
XLogP0.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156864966
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
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 174213118
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 156525010
3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
CID 139983113
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2-(5-methylpyridine-3-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70746508
[6-tert-butyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 171606675

Frequently Asked Questions

What is the IUPAC name of 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 156865063) is 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is O=C(c1cccnc1)N1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is FQROYPQMZFFTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-6-10-3-5-17(9-12(10)8-16-13)14(19)11-2-1-4-15-7-11/h1-2,4,6-8H,3,5,9H2,(H,16,18).
What are the key properties of 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 255.28 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 156865063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).