(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

C15H12N4OSe — CID 61179668

IUPAC(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N=[Se]=N2)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H12N4OSe/c20-15(13-8-9-4-1-2-5-10(9)16-13)17-11-6-3-7-12-14(11)19-21-18-12/h1-7,13,16H,8H2,(H,17,20)/t13-/m0/s1
InChIKeyDHBNCIUYMRWRBM-ZDUSSCGKSA-N
MW343.25 g/mol
LogP3.01
Rot. Bonds2

About (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61179668) has the molecular formula C15H12N4OSe and a molecular weight of 343.25 g/mol. Its IUPAC name is (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61179668
Molecular FormulaC15H12N4OSe
Molecular Weight343.25 g/mol
Exact Mass344.02
IUPAC Name(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N=[Se]=N2)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H12N4OSe/c20-15(13-8-9-4-1-2-5-10(9)16-13)17-11-6-3-7-12-14(11)19-21-18-12/h1-7,13,16H,8H2,(H,17,20)/t13-/m0/s1
InChIKeyDHBNCIUYMRWRBM-ZDUSSCGKSA-N
XLogP3.01
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61179668) is (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cccc2c1N=[Se]=N2)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DHBNCIUYMRWRBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12N4OSe/c20-15(13-8-9-4-1-2-5-10(9)16-13)17-11-6-3-7-12-14(11)19-21-18-12/h1-7,13,16H,8H2,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61179668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).