5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide

C22H25N3O3 — CID 97152220

IUPAC5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)n2C
InChIInChI=1S/C22H25N3O3/c1-24-20-9-8-18(27-2)12-16(20)13-21(24)22(26)25(15-19-7-5-11-28-19)14-17-6-3-4-10-23-17/h3-4,6,8-10,12-13,19H,5,7,11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyWDXKZSXIXGXACU-LJQANCHMSA-N
MW379.46 g/mol
LogP3.40
Rot. Bonds6

About 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide

5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 97152220) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID97152220
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)n2C
InChIInChI=1S/C22H25N3O3/c1-24-20-9-8-18(27-2)12-16(20)13-21(24)22(26)25(15-19-7-5-11-28-19)14-17-6-3-4-10-23-17/h3-4,6,8-10,12-13,19H,5,7,11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyWDXKZSXIXGXACU-LJQANCHMSA-N
XLogP3.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 5046836
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 42099205
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 97152220) is 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is WDXKZSXIXGXACU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-24-20-9-8-18(27-2)12-16(20)13-21(24)22(26)25(15-19-7-5-11-28-19)14-17-6-3-4-10-23-17/h3-4,6,8-10,12-13,19H,5,7,11,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 97152220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).