1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C26H27N3O5 — CID 26141341

IUPAC1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(-c2cc3c(n(CC4CC4)c2=O)CCN(C(=O)c2ccc(=O)[nH]c2)C3)c1OC
InChIInChI=1S/C26H27N3O5/c1-33-22-5-3-4-19(24(22)34-2)20-12-18-15-28(25(31)17-8-9-23(30)27-13-17)11-10-21(18)29(26(20)32)14-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3,(H,27,30)
InChIKeyJWHNJSPCLGPGMF-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.83
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26141341) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26141341
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(-c2cc3c(n(CC4CC4)c2=O)CCN(C(=O)c2ccc(=O)[nH]c2)C3)c1OC
InChIInChI=1S/C26H27N3O5/c1-33-22-5-3-4-19(24(22)34-2)20-12-18-15-28(25(31)17-8-9-23(30)27-13-17)11-10-21(18)29(26(20)32)14-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3,(H,27,30)
InChIKeyJWHNJSPCLGPGMF-UHFFFAOYSA-N
XLogP2.83
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26137700
1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 170591461
1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45161009
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26133902
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26139462
1-(cyclopropylmethyl)-3-isoquinolin-5-yl-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45162950
5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 51092133
5-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-carbonyl)-1H-pyridin-2-one
CID 110613933
methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71733849
3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26137947
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26141341) is 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1cccc(-c2cc3c(n(CC4CC4)c2=O)CCN(C(=O)c2ccc(=O)[nH]c2)C3)c1OC.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is JWHNJSPCLGPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-33-22-5-3-4-19(24(22)34-2)20-12-18-15-28(25(31)17-8-9-23(30)27-13-17)11-10-21(18)29(26(20)32)14-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3,(H,27,30).
What are the key properties of 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 461.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26141341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).