6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C29H31N5O3 — CID 58093949

IUPAC6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1
InChIInChI=1S/C29H31N5O3/c1-19(35)8-12-34-13-9-21(10-14-34)20-3-5-24(6-4-20)32-28-27-22(7-11-31-29(27)36)16-26(33-28)23-15-25(37-2)18-30-17-23/h3-7,11,15-18,21H,8-10,12-14H2,1-2H3,(H,31,36)(H,32,33)
InChIKeyCGIKOISUWMDOMB-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.90
Rot. Bonds8

About 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093949) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093949
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1
InChIInChI=1S/C29H31N5O3/c1-19(35)8-12-34-13-9-21(10-14-34)20-3-5-24(6-4-20)32-28-27-22(7-11-31-29(27)36)16-26(33-28)23-15-25(37-2)18-30-17-23/h3-7,11,15-18,21H,8-10,12-14H2,1-2H3,(H,31,36)(H,32,33)
InChIKeyCGIKOISUWMDOMB-UHFFFAOYSA-N
XLogP4.90
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-{2-[5-methoxy-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748274
2-fluoro-9-oxo-N-(2-{2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}propan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748528
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
Cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
CID 10763212
2-[3-[4-(2-methoxy-4-methylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 11795906
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779
4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 44586114

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 58093949) is 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is CGIKOISUWMDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-19(35)8-12-34-13-9-21(10-14-34)20-3-5-24(6-4-20)32-28-27-22(7-11-31-29(27)36)16-26(33-28)23-15-25(37-2)18-30-17-23/h3-7,11,15-18,21H,8-10,12-14H2,1-2H3,(H,31,36)(H,32,33).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 497.60 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).