6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one

C24H22N4O — CID 134588179

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cccnc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C24H22N4O/c1-2-28-15-22(18-8-5-9-25-13-18)23(29)21-12-20(14-26-24(21)28)27-19-10-16-6-3-4-7-17(16)11-19/h3-9,12-15,19,27H,2,10-11H2,1H3
InChIKeyCYIQDAYZGQOWJZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.06
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one (PubChem CID 134588179) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one
PubChem CID134588179
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cccnc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C24H22N4O/c1-2-28-15-22(18-8-5-9-25-13-18)23(29)21-12-20(14-26-24(21)28)27-19-10-16-6-3-4-7-17(16)11-19/h3-9,12-15,19,27H,2,10-11H2,1H3
InChIKeyCYIQDAYZGQOWJZ-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one (CID 134588179) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one is CCn1cc(-c2cccnc2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one?
The InChIKey is CYIQDAYZGQOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-28-15-22(18-8-5-9-25-13-18)23(29)21-12-20(14-26-24(21)28)27-19-10-16-6-3-4-7-17(16)11-19/h3-9,12-15,19,27H,2,10-11H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one has a molecular weight of 382.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 134588179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).