5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one

C27H30N4O2 — CID 58278167

IUPAC5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
SMILESNc1nc(OCc2ccccc2)cc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C27H30N4O2/c28-27-24-14-23(32)18-31(17-22-10-6-9-21(13-22)16-30-11-4-5-12-30)25(24)15-26(29-27)33-19-20-7-2-1-3-8-20/h1-3,6-10,13,15H,4-5,11-12,14,16-19H2,(H2,28,29)
InChIKeyWWRZXXXGXLJBCB-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.97
Rot. Bonds7

About 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one

5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one (PubChem CID 58278167) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one.

Molecular Properties

Compound Name5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
PubChem CID58278167
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
SMILESNc1nc(OCc2ccccc2)cc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1
InChIInChI=1S/C27H30N4O2/c28-27-24-14-23(32)18-31(17-22-10-6-9-21(13-22)16-30-11-4-5-12-30)25(24)15-26(29-27)33-19-20-7-2-1-3-8-20/h1-3,6-10,13,15H,4-5,11-12,14,16-19H2,(H2,28,29)
InChIKeyWWRZXXXGXLJBCB-UHFFFAOYSA-N
XLogP3.97
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-7-butoxy-2,2-dimethyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4H-1,6-naphthyridin-3-one;5-amino-7-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 123280321
5-amino-7-(butylamino)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278123
4-amino-2-(2-ethylbutoxy)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149468183
4-amino-2-(2,2-dimethylpropylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149108631
5-amino-7-(butylamino)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278170
4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one
CID 157212091
4-amino-2-[2-[ethoxy(methoxy)phosphoryl]ethylamino]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 162084027
3-[(4-amino-6-oxo-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;ethane;methane
CID 159983743
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905
2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
CID 159014946
4-amino-2-butoxy-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 147112630
1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 118690724

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one?
The IUPAC name of 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one (CID 58278167) is 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one.
What is the SMILES notation for 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one?
The canonical SMILES for 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one is Nc1nc(OCc2ccccc2)cc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1.
What is the InChIKey of 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one?
The InChIKey is WWRZXXXGXLJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c28-27-24-14-23(32)18-31(17-22-10-6-9-21(13-22)16-30-11-4-5-12-30)25(24)15-26(29-27)33-19-20-7-2-1-3-8-20/h1-3,6-10,13,15H,4-5,11-12,14,16-19H2,(H2,28,29).
What are the key properties of 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one?
5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one has a molecular weight of 442.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one is sourced from PubChem (CID 58278167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).