4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide

C14H13N3O — CID 66939430

IUPAC4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide
SMILESNC(=O)C1=Cc2[nH]c3c(N)cccc3c2CC=C1
InChIInChI=1S/C14H13N3O/c15-11-6-2-5-10-9-4-1-3-8(14(16)18)7-12(9)17-13(10)11/h1-3,5-7,17H,4,15H2,(H2,16,18)
InChIKeyYXCOGSMBQAOKBP-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.73
Rot. Bonds1

About 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide

4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide (PubChem CID 66939430) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide.

Molecular Properties

Compound Name4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide
PubChem CID66939430
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide
SMILESNC(=O)C1=Cc2[nH]c3c(N)cccc3c2CC=C1
InChIInChI=1S/C14H13N3O/c15-11-6-2-5-10-9-4-1-3-8(14(16)18)7-12(9)17-13(10)11/h1-3,5-7,17H,4,15H2,(H2,16,18)
InChIKeyYXCOGSMBQAOKBP-UHFFFAOYSA-N
XLogP1.73
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide?
The IUPAC name of 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide (CID 66939430) is 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide.
What is the SMILES notation for 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide?
The canonical SMILES for 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide is NC(=O)C1=Cc2[nH]c3c(N)cccc3c2CC=C1.
What is the InChIKey of 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide?
The InChIKey is YXCOGSMBQAOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-11-6-2-5-10-9-4-1-3-8(14(16)18)7-12(9)17-13(10)11/h1-3,5-7,17H,4,15H2,(H2,16,18).
What are the key properties of 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide?
4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide is sourced from PubChem (CID 66939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).