carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone

C27H28N2O3 — CID 157255710

IUPACcarbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone
SMILESCc1cncc2c1CCN(c1cccc(C(=O)Cc3cccc(C(C)C)c3)c1)C2.O=C=O
InChIInChI=1S/C26H28N2O.CO2/c1-18(2)21-7-4-6-20(12-21)13-26(29)22-8-5-9-24(14-22)28-11-10-25-19(3)15-27-16-23(25)17-28;2-1-3/h4-9,12,14-16,18H,10-11,13,17H2,1-3H3;
InChIKeyAWWGKNSAKDMVCT-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.92
Rot. Bonds5

About carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone

carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone (PubChem CID 157255710) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Namecarbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone
PubChem CID157255710
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Namecarbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone
SMILESCc1cncc2c1CCN(c1cccc(C(=O)Cc3cccc(C(C)C)c3)c1)C2.O=C=O
InChIInChI=1S/C26H28N2O.CO2/c1-18(2)21-7-4-6-20(12-21)13-26(29)22-8-5-9-24(14-22)28-11-10-25-19(3)15-27-16-23(25)17-28;2-1-3/h4-9,12,14-16,18H,10-11,13,17H2,1-3H3;
InChIKeyAWWGKNSAKDMVCT-UHFFFAOYSA-N
XLogP4.92
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
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CID 16748637
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
CID 66829396
2-Pyridin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 971219
N-(3-acetylphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 2460117
Biphenyl-4-yl[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 16188247
1-(2-{[1,1'-Biphenyl]-4-yl}-2-oxoethyl)-4-(dimethylamino)pyridin-1-ium chloride
CID 16192604
10-Methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one
CID 24792649
10-Methyl-2-(pyridin-2-ylethynyl)acridin-9(10H)-one
CID 24819158
10-Allyl-2-[2-(2-pyridyl)ethynyl]acridin-9-one
CID 44142360
(4-Benzoylpiperidin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49864755

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone?
The IUPAC name of carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone (CID 157255710) is carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone.
What is the SMILES notation for carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone?
The canonical SMILES for carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone is Cc1cncc2c1CCN(c1cccc(C(=O)Cc3cccc(C(C)C)c3)c1)C2.O=C=O.
What is the InChIKey of carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone?
The InChIKey is AWWGKNSAKDMVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O.CO2/c1-18(2)21-7-4-6-20(12-21)13-26(29)22-8-5-9-24(14-22)28-11-10-25-19(3)15-27-16-23(25)17-28;2-1-3/h4-9,12,14-16,18H,10-11,13,17H2,1-3H3;.
What are the key properties of carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone?
carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone has a molecular weight of 428.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-[3-(5-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)phenyl]-2-(3-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 157255710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).