[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid

C21H24N2O3 — CID 174172375

IUPAC[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
SMILESCC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)ccc2[C@@H]1NC(=O)O
InChIInChI=1S/C21H24N2O3/c1-21(2)10-16-9-14(5-7-17(16)19(21)23-20(24)25)15-6-8-18(22-11-15)26-12-13-3-4-13/h5-9,11,13,19,23H,3-4,10,12H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyCRWFYEIEJNQGAB-IBGZPJMESA-N
MW352.43 g/mol
LogP4.43
Rot. Bonds5

About [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid

[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid (PubChem CID 174172375) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
PubChem CID174172375
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
SMILESCC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)ccc2[C@@H]1NC(=O)O
InChIInChI=1S/C21H24N2O3/c1-21(2)10-16-9-14(5-7-17(16)19(21)23-20(24)25)15-6-8-18(22-11-15)26-12-13-3-4-13/h5-9,11,13,19,23H,3-4,10,12H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyCRWFYEIEJNQGAB-IBGZPJMESA-N
XLogP4.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid?
The IUPAC name of [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid (CID 174172375) is [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid.
What is the SMILES notation for [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid?
The canonical SMILES for [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid is CC1(C)Cc2cc(-c3ccc(OCC4CC4)nc3)ccc2[C@@H]1NC(=O)O.
What is the InChIKey of [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid?
The InChIKey is CRWFYEIEJNQGAB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2)10-16-9-14(5-7-17(16)19(21)23-20(24)25)15-6-8-18(22-11-15)26-12-13-3-4-13/h5-9,11,13,19,23H,3-4,10,12H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid?
[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid has a molecular weight of 352.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid is sourced from PubChem (CID 174172375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).