1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H34N4O2 — CID 45162011

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(-c2cc3c(n(CCN(C)C)c2=O)CCN(C(C)Cc2ccccn2)C3)c1
InChIInChI=1S/C27H34N4O2/c1-20(16-23-9-5-6-12-28-23)30-13-11-26-22(19-30)18-25(21-8-7-10-24(17-21)33-4)27(32)31(26)15-14-29(2)3/h5-10,12,17-18,20H,11,13-16,19H2,1-4H3
InChIKeyCWAWTVMPWVETGO-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.47
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 45162011) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID45162011
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(-c2cc3c(n(CCN(C)C)c2=O)CCN(C(C)Cc2ccccn2)C3)c1
InChIInChI=1S/C27H34N4O2/c1-20(16-23-9-5-6-12-28-23)30-13-11-26-22(19-30)18-25(21-8-7-10-24(17-21)33-4)27(32)31(26)15-14-29(2)3/h5-10,12,17-18,20H,11,13-16,19H2,1-4H3
InChIKeyCWAWTVMPWVETGO-UHFFFAOYSA-N
XLogP3.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 45162011) is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1cccc(-c2cc3c(n(CCN(C)C)c2=O)CCN(C(C)Cc2ccccn2)C3)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is CWAWTVMPWVETGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20(16-23-9-5-6-12-28-23)30-13-11-26-22(19-30)18-25(21-8-7-10-24(17-21)33-4)27(32)31(26)15-14-29(2)3/h5-10,12,17-18,20H,11,13-16,19H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 446.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-6-(1-pyridin-2-ylpropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 45162011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).