3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one

C27H24N4O4 — CID 169270828

IUPAC3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
SMILESCc1cc([C@@H](C)Nc2cccnc2-c2noc(=O)n2C)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H24N4O4/c1-15-13-19(17(3)29-21-11-8-12-28-22(21)26-30-35-27(33)31(26)4)25-20(14-15)23(32)16(2)24(34-25)18-9-6-5-7-10-18/h5-14,17,29H,1-4H3/t17-/m1/s1
InChIKeySXWJUCUJROVVRP-QGZVFWFLSA-N
MW468.51 g/mol
LogP5.00
Rot. Bonds5

About 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one

3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one (PubChem CID 169270828) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
PubChem CID169270828
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
SMILESCc1cc([C@@H](C)Nc2cccnc2-c2noc(=O)n2C)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C27H24N4O4/c1-15-13-19(17(3)29-21-11-8-12-28-22(21)26-30-35-27(33)31(26)4)25-20(14-15)23(32)16(2)24(34-25)18-9-6-5-7-10-18/h5-14,17,29H,1-4H3/t17-/m1/s1
InChIKeySXWJUCUJROVVRP-QGZVFWFLSA-N
XLogP5.00
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
CID 169269754
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
3-[3-[[(1R)-1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169268849
N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320
4-[2-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]phenyl]-1-methylpyridin-2-one
CID 174202182

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one (CID 169270828) is 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one is Cc1cc([C@@H](C)Nc2cccnc2-c2noc(=O)n2C)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is SXWJUCUJROVVRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-15-13-19(17(3)29-21-11-8-12-28-22(21)26-30-35-27(33)31(26)4)25-20(14-15)23(32)16(2)24(34-25)18-9-6-5-7-10-18/h5-14,17,29H,1-4H3/t17-/m1/s1.
What are the key properties of 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one?
3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 468.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 169270828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).