N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide

C17H19N3O — CID 6545059

IUPACN-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@@H]2CC[C@H]1C2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(15-10-18-16-4-2-1-3-14(15)16)20-19-9-13-8-11-5-6-12(13)7-11/h1-4,9-13,18H,5-8H2,(H,20,21)/b19-9-/t11-,12+,13+/m1/s1
InChIKeyMPCFNUBUCZFVAW-HDBIQAQTSA-N
MW281.36 g/mol
LogP3.32
Rot. Bonds3

About N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6545059) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID6545059
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@@H]2CC[C@H]1C2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(15-10-18-16-4-2-1-3-14(15)16)20-19-9-13-8-11-5-6-12(13)7-11/h1-4,9-13,18H,5-8H2,(H,20,21)/b19-9-/t11-,12+,13+/m1/s1
InChIKeyMPCFNUBUCZFVAW-HDBIQAQTSA-N
XLogP3.32
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide with MolForge

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Related Compounds

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]cyclohexanecarboxamide
CID 51028154
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide (CID 6545059) is N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C\[C@@H]1C[C@@H]2CC[C@H]1C2)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is MPCFNUBUCZFVAW-HDBIQAQTSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(15-10-18-16-4-2-1-3-14(15)16)20-19-9-13-8-11-5-6-12(13)7-11/h1-4,9-13,18H,5-8H2,(H,20,21)/b19-9-/t11-,12+,13+/m1/s1.
What are the key properties of N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6545059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).