[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid

C19H17FN2O4 — CID 174166887

IUPAC[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
SMILESCc1cc([C@@H](C)NC(=O)O)c2oc(-c3ncccc3F)c(C)c(=O)c2c1
InChIInChI=1S/C19H17FN2O4/c1-9-7-12(11(3)22-19(24)25)18-13(8-9)16(23)10(2)17(26-18)15-14(20)5-4-6-21-15/h4-8,11,22H,1-3H3,(H,24,25)/t11-/m1/s1
InChIKeySHEQSKCISMFXBC-LLVKDONJSA-N
MW356.35 g/mol
LogP3.94
Rot. Bonds3

About [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid

[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid (PubChem CID 174166887) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
PubChem CID174166887
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
SMILESCc1cc([C@@H](C)NC(=O)O)c2oc(-c3ncccc3F)c(C)c(=O)c2c1
InChIInChI=1S/C19H17FN2O4/c1-9-7-12(11(3)22-19(24)25)18-13(8-9)16(23)10(2)17(26-18)15-14(20)5-4-6-21-15/h4-8,11,22H,1-3H3,(H,24,25)/t11-/m1/s1
InChIKeySHEQSKCISMFXBC-LLVKDONJSA-N
XLogP3.94
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid
CID 174204740
3-[6-chloro-3-[1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethylamino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169270785
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
2-[[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]benzoic acid
CID 166111101
3-[[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-6-methylpyridine-2-carboxylic acid
CID 166111468
3-[3-[[(1S)-1-[2-(2-fluoro-3-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 170671117
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
(Z)-3-amino-N-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]but-2-enethioamide
CID 169268993
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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid?
The IUPAC name of [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid (CID 174166887) is [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid is Cc1cc([C@@H](C)NC(=O)O)c2oc(-c3ncccc3F)c(C)c(=O)c2c1.
What is the InChIKey of [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid?
The InChIKey is SHEQSKCISMFXBC-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-9-7-12(11(3)22-19(24)25)18-13(8-9)16(23)10(2)17(26-18)15-14(20)5-4-6-21-15/h4-8,11,22H,1-3H3,(H,24,25)/t11-/m1/s1.
What are the key properties of [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid?
[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid has a molecular weight of 356.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid is sourced from PubChem (CID 174166887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).