(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

C12H13N3O — CID 15573652

IUPAC(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1
InChIInChI=1S/C12H13N3O/c13-12(16)10-5-8-7-3-1-2-4-9(7)15-11(8)6-14-10/h1-4,10,14-15H,5-6H2,(H2,13,16)/t10-/m1/s1
InChIKeySWRKTKBVJYIDTG-SNVBAGLBSA-N
MW215.26 g/mol
LogP0.67
Rot. Bonds1

About (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 15573652) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID15573652
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1
InChIInChI=1S/C12H13N3O/c13-12(16)10-5-8-7-3-1-2-4-9(7)15-11(8)6-14-10/h1-4,10,14-15H,5-6H2,(H2,13,16)/t10-/m1/s1
InChIKeySWRKTKBVJYIDTG-SNVBAGLBSA-N
XLogP0.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
(2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]butanediamide
CID 67917373
(3S)-N-[(1S,2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]cyclohexyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 122203819
N-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 13129434
(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15674747
methyl (2S)-4-methyl-2-[[(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]pentanoate;hydrochloride
CID 71676818
1,3-difluoro-5-methylbenzene;N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 145074670
[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
CID 13375506
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 142183119
1-chloro-3-methylbenzene;methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 145074597
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide (CID 15573652) is (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide is NC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1.
What is the InChIKey of (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is SWRKTKBVJYIDTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)10-5-8-7-3-1-2-4-9(7)15-11(8)6-14-10/h1-4,10,14-15H,5-6H2,(H2,13,16)/t10-/m1/s1.
What are the key properties of (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide?
(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 15573652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).