6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one

C17H14N4O — CID 175843968

IUPAC6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one
SMILESO=c1c2c(c3cccnc3n1Cc1ccncc1)CC=NC2
InChIInChI=1S/C17H14N4O/c22-17-15-10-19-9-5-13(15)14-2-1-6-20-16(14)21(17)11-12-3-7-18-8-4-12/h1-4,6-9H,5,10-11H2
InChIKeyXHHGYQTZMCOBTA-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.97
Rot. Bonds2

About 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one

6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one (PubChem CID 175843968) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one
PubChem CID175843968
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one
SMILESO=c1c2c(c3cccnc3n1Cc1ccncc1)CC=NC2
InChIInChI=1S/C17H14N4O/c22-17-15-10-19-9-5-13(15)14-2-1-6-20-16(14)21(17)11-12-3-7-18-8-4-12/h1-4,6-9H,5,10-11H2
InChIKeyXHHGYQTZMCOBTA-UHFFFAOYSA-N
XLogP1.97
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one
CID 175843934
6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402716
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172
6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402718
1-methyl-7-pyridin-3-yl-3-(pyridin-4-ylmethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53011113
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932433
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
3-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3795361
1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413891
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576054
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one?
The IUPAC name of 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one (CID 175843968) is 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one.
What is the SMILES notation for 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one?
The canonical SMILES for 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one is O=c1c2c(c3cccnc3n1Cc1ccncc1)CC=NC2.
What is the InChIKey of 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one?
The InChIKey is XHHGYQTZMCOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17-15-10-19-9-5-13(15)14-2-1-6-20-16(14)21(17)11-12-3-7-18-8-4-12/h1-4,6-9H,5,10-11H2.
What are the key properties of 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one?
6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one has a molecular weight of 290.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one is sourced from PubChem (CID 175843968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).