6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C20H21N3O3 — CID 177138836

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1ncc2[nH]c3ccc(C4=CCOCC4)cc3c2c1COC
InChIInChI=1S/C20H21N3O3/c1-21-20(24)19-15(11-25-2)18-14-9-13(12-5-7-26-8-6-12)3-4-16(14)23-17(18)10-22-19/h3-5,9-10,23H,6-8,11H2,1-2H3,(H,21,24)
InChIKeyGNYXYIBJOHCMCR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.03
Rot. Bonds4

About 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 177138836) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID177138836
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1ncc2[nH]c3ccc(C4=CCOCC4)cc3c2c1COC
InChIInChI=1S/C20H21N3O3/c1-21-20(24)19-15(11-25-2)18-14-9-13(12-5-7-26-8-6-12)3-4-16(14)23-17(18)10-22-19/h3-5,9-10,23H,6-8,11H2,1-2H3,(H,21,24)
InChIKeyGNYXYIBJOHCMCR-UHFFFAOYSA-N
XLogP3.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 177138836) is 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is CNC(=O)c1ncc2[nH]c3ccc(C4=CCOCC4)cc3c2c1COC.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is GNYXYIBJOHCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-21-20(24)19-15(11-25-2)18-14-9-13(12-5-7-26-8-6-12)3-4-16(14)23-17(18)10-22-19/h3-5,9-10,23H,6-8,11H2,1-2H3,(H,21,24).
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 177138836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).