3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

C16H19N3O — CID 119706205

IUPAC3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H19N3O/c17-15-10-5-4-9(8-10)14(15)16(20)19-13-3-1-2-12-11(13)6-7-18-12/h1-3,6-7,9-10,14-15,18H,4-5,8,17H2,(H,19,20)
InChIKeyAEEMNVBFFPTVJJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119706205) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119706205
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H19N3O/c17-15-10-5-4-9(8-10)14(15)16(20)19-13-3-1-2-12-11(13)6-7-18-12/h1-3,6-7,9-10,14-15,18H,4-5,8,17H2,(H,19,20)
InChIKeyAEEMNVBFFPTVJJ-UHFFFAOYSA-N
XLogP2.48
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
1-(4-chlorophenyl)sulfonyl-N-(1H-indol-4-yl)piperidine-4-carboxamide
CID 71704081
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 116786903
(3R)-N-(1H-indol-4-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94797600
3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119781796
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119706205) is 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AEEMNVBFFPTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-15-10-5-4-9(8-10)14(15)16(20)19-13-3-1-2-12-11(13)6-7-18-12/h1-3,6-7,9-10,14-15,18H,4-5,8,17H2,(H,19,20).
What are the key properties of 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119706205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).