(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide

C31H30N4O3 — CID 161148408

IUPAC(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)C(C)(C)N1C(=O)c1occc1CCc1ccc2nccnc2c1
InChIInChI=1S/C31H30N4O3/c1-31(2)24-17-21-6-4-5-7-22(21)23(24)18-27(29(36)32-3)35(31)30(37)28-20(12-15-38-28)10-8-19-9-11-25-26(16-19)34-14-13-33-25/h4-7,9,11-16,27H,8,10,17-18H2,1-3H3,(H,32,36)/t27-/m1/s1
InChIKeyUOIZANKDNDXOOT-HHHXNRCGSA-N
MW506.61 g/mol
LogP4.76
Rot. Bonds5

About (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide

(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide (PubChem CID 161148408) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide
PubChem CID161148408
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)C(C)(C)N1C(=O)c1occc1CCc1ccc2nccnc2c1
InChIInChI=1S/C31H30N4O3/c1-31(2)24-17-21-6-4-5-7-22(21)23(24)18-27(29(36)32-3)35(31)30(37)28-20(12-15-38-28)10-8-19-9-11-25-26(16-19)34-14-13-33-25/h4-7,9,11-16,27H,8,10,17-18H2,1-3H3,(H,32,36)/t27-/m1/s1
InChIKeyUOIZANKDNDXOOT-HHHXNRCGSA-N
XLogP4.76
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide with MolForge

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Related Compounds

Sphinx31
CID 91972002
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
(R)-N-Methyl-2-(3-((Quinoxalin-6-Ylamino)methyl)furan-2-Carbonyl)-2,3,4,9-Tetrahydro-1h-Pyrido[3,4-B]indole-3-Carboxamide
CID 71656932
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-32
CID 156906917
ALP-POS-b0bc6a46-5
CID 156906936
LON-WEI-2e27a2e5-1
CID 156907122
N-[2-(tert-butylamino)-2-oxo-1-pyrazin-2-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003636

Frequently Asked Questions

What is the IUPAC name of (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide (CID 161148408) is (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CC2=C(Cc3ccccc32)C(C)(C)N1C(=O)c1occc1CCc1ccc2nccnc2c1.
What is the InChIKey of (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide?
The InChIKey is UOIZANKDNDXOOT-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-31(2)24-17-21-6-4-5-7-22(21)23(24)18-27(29(36)32-3)35(31)30(37)28-20(12-15-38-28)10-8-19-9-11-25-26(16-19)34-14-13-33-25/h4-7,9,11-16,27H,8,10,17-18H2,1-3H3,(H,32,36)/t27-/m1/s1.
What are the key properties of (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide?
(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide is sourced from PubChem (CID 161148408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).