N-(azetidin-3-yl)-1H-indole-6-carboxamide

C12H13N3O — CID 66186513

IUPACN-(azetidin-3-yl)-1H-indole-6-carboxamide
SMILESO=C(NC1CNC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13N3O/c16-12(15-10-6-13-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,13-14H,6-7H2,(H,15,16)
InChIKeyRKUPHLACBACXTP-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.87
Rot. Bonds2

About N-(azetidin-3-yl)-1H-indole-6-carboxamide

N-(azetidin-3-yl)-1H-indole-6-carboxamide (PubChem CID 66186513) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1H-indole-6-carboxamide
PubChem CID66186513
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(azetidin-3-yl)-1H-indole-6-carboxamide
SMILESO=C(NC1CNC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13N3O/c16-12(15-10-6-13-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,13-14H,6-7H2,(H,15,16)
InChIKeyRKUPHLACBACXTP-UHFFFAOYSA-N
XLogP0.87
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
ethane;1H-indole-6-carboxylic acid
CID 142472960

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1H-indole-6-carboxamide (CID 66186513) is N-(azetidin-3-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1H-indole-6-carboxamide is O=C(NC1CNC1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(azetidin-3-yl)-1H-indole-6-carboxamide?
The InChIKey is RKUPHLACBACXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(15-10-6-13-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,13-14H,6-7H2,(H,15,16).
What are the key properties of N-(azetidin-3-yl)-1H-indole-6-carboxamide?
N-(azetidin-3-yl)-1H-indole-6-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 66186513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).