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

C17H17N3O2 — CID 3383149

IUPACN-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C17H17N3O2/c21-17(19-9-11-4-3-7-22-11)15-8-13-12-5-1-2-6-14(12)20-16(13)10-18-15/h1-2,5-6,8,10-11,20H,3-4,7,9H2,(H,19,21)
InChIKeyWVLOJRNHIMXTMJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.62
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 3383149) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID3383149
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C17H17N3O2/c21-17(19-9-11-4-3-7-22-11)15-8-13-12-5-1-2-6-14(12)20-16(13)10-18-15/h1-2,5-6,8,10-11,20H,3-4,7,9H2,(H,19,21)
InChIKeyWVLOJRNHIMXTMJ-UHFFFAOYSA-N
XLogP2.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6139376
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 3383149) is N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is O=C(NCC1CCCO1)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WVLOJRNHIMXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(19-9-11-4-3-7-22-11)15-8-13-12-5-1-2-6-14(12)20-16(13)10-18-15/h1-2,5-6,8,10-11,20H,3-4,7,9H2,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 3383149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).