N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine

C22H27N3O — CID 46966721

IUPACN-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine
SMILESCC(CN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16(17-8-4-3-5-9-17)14-25(2)15-19-18-10-6-12-23-22(18)24-21(19)20-11-7-13-26-20/h3-6,8-10,12,16,20H,7,11,13-15H2,1-2H3,(H,23,24)/t16?,20-/m1/s1
InChIKeyISYWFVNUMGRPOM-OTOKDRCRSA-N
MW349.48 g/mol
LogP4.65
Rot. Bonds6

About N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine

N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine (PubChem CID 46966721) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine
PubChem CID46966721
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine
SMILESCC(CN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16(17-8-4-3-5-9-17)14-25(2)15-19-18-10-6-12-23-22(18)24-21(19)20-11-7-13-26-20/h3-6,8-10,12,16,20H,7,11,13-15H2,1-2H3,(H,23,24)/t16?,20-/m1/s1
InChIKeyISYWFVNUMGRPOM-OTOKDRCRSA-N
XLogP4.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine (CID 46966721) is N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine is CC(CN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12)c1ccccc1.
What is the InChIKey of N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine?
The InChIKey is ISYWFVNUMGRPOM-OTOKDRCRSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(17-8-4-3-5-9-17)14-25(2)15-19-18-10-6-12-23-22(18)24-21(19)20-11-7-13-26-20/h3-6,8-10,12,16,20H,7,11,13-15H2,1-2H3,(H,23,24)/t16?,20-/m1/s1.
What are the key properties of N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine?
N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine has a molecular weight of 349.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 46966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).