6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one

C26H29N3O2 — CID 158652271

IUPAC6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCCCC2)c(=O)c2nc(CC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C26H29N3O2/c1-2-28-17-22(26(31)29-12-6-3-7-13-29)25(30)24-23(28)11-10-21(27-24)16-18-14-19-8-4-5-9-20(19)15-18/h4-5,8-11,17-18H,2-3,6-7,12-16H2,1H3
InChIKeyWPTILVRHHKVWRP-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.00
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one (PubChem CID 158652271) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one
PubChem CID158652271
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCCCC2)c(=O)c2nc(CC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C26H29N3O2/c1-2-28-17-22(26(31)29-12-6-3-7-13-29)25(30)24-23(28)11-10-21(27-24)16-18-14-19-8-4-5-9-20(19)15-18/h4-5,8-11,17-18H,2-3,6-7,12-16H2,1H3
InChIKeyWPTILVRHHKVWRP-UHFFFAOYSA-N
XLogP4.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
CID 149335829
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 20859389
3-(4-benzylpiperidine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one
CID 30133681
1-ethyl-6-[[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]amino]-3-(morpholine-4-carbonyl)-1,5-naphthyridin-4-one
CID 121381097
2-[4-(6-chloro-1-ethyl-4-oxoquinoline-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 146087872
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 24772165
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912
3-acetyl-6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-1,8-naphthyridin-4-one;6-amino-1-ethyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-one;N-cyclopropyl-6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxamide;6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-N-(4-methylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide;6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-4-one;6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-4-oxo-N-(4-phenylphenyl)-1,8-naphthyridine-3-carboxamide;6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-one;ethyl 1-ethyl-6-(3-methyl-2-oxobutyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 162081590
1-ethyl-7,8-difluoro-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one
CID 18994604
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213765

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one (CID 158652271) is 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one is CCn1cc(C(=O)N2CCCCC2)c(=O)c2nc(CC3Cc4ccccc4C3)ccc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one?
The InChIKey is WPTILVRHHKVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-2-28-17-22(26(31)29-12-6-3-7-13-29)25(30)24-23(28)11-10-21(27-24)16-18-14-19-8-4-5-9-20(19)15-18/h4-5,8-11,17-18H,2-3,6-7,12-16H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one has a molecular weight of 415.54 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylmethyl)-1-ethyl-3-(piperidine-1-carbonyl)-1,5-naphthyridin-4-one is sourced from PubChem (CID 158652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).