1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C25H25N3O3 — CID 6139376

IUPAC1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCOc1ccccc1-c1nc(C(=O)NCC2CCCO2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C25H25N3O3/c1-2-30-22-12-6-4-10-18(22)23-24-19(17-9-3-5-11-20(17)27-24)14-21(28-23)25(29)26-15-16-8-7-13-31-16/h3-6,9-12,14,16,27H,2,7-8,13,15H2,1H3,(H,26,29)
InChIKeyYBWUNJJLFXHCLN-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.69
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6139376) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6139376
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCOc1ccccc1-c1nc(C(=O)NCC2CCCO2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C25H25N3O3/c1-2-30-22-12-6-4-10-18(22)23-24-19(17-9-3-5-11-20(17)27-24)14-21(28-23)25(29)26-15-16-8-7-13-31-16/h3-6,9-12,14,16,27H,2,7-8,13,15H2,1H3,(H,26,29)
InChIKeyYBWUNJJLFXHCLN-UHFFFAOYSA-N
XLogP4.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168554617
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6139376) is 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is CCOc1ccccc1-c1nc(C(=O)NCC2CCCO2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is YBWUNJJLFXHCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-30-22-12-6-4-10-18(22)23-24-19(17-9-3-5-11-20(17)27-24)14-21(28-23)25(29)26-15-16-8-7-13-31-16/h3-6,9-12,14,16,27H,2,7-8,13,15H2,1H3,(H,26,29).
What are the key properties of 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6139376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).