N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide

C18H16BrN3O — CID 11245659

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1
InChIInChI=1S/C18H16BrN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)
InChIKeyXDNJBIOPNSPBOV-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.13
Rot. Bonds2

About N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide (PubChem CID 11245659) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
PubChem CID11245659
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1
InChIInChI=1S/C18H16BrN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)
InChIKeyXDNJBIOPNSPBOV-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide (CID 11245659) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide is O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide?
The InChIKey is XDNJBIOPNSPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23).
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 11245659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).