3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide

C20H19BrFN3O — CID 67231541

IUPAC3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CCC1=CN=C2CC=C(F)C=C12)CC1CC1
InChIInChI=1S/C20H19BrFN3O/c21-17-2-1-8-23-19(17)20(26)25(12-13-3-4-13)9-7-14-11-24-18-6-5-15(22)10-16(14)18/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2
InChIKeyDXLCBCCWSBHUQJ-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.61
Rot. Bonds6

About 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide

3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 67231541) has the molecular formula C20H19BrFN3O and a molecular weight of 416.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID67231541
Molecular FormulaC20H19BrFN3O
Molecular Weight416.29 g/mol
Exact Mass415.07
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CCC1=CN=C2CC=C(F)C=C12)CC1CC1
InChIInChI=1S/C20H19BrFN3O/c21-17-2-1-8-23-19(17)20(26)25(12-13-3-4-13)9-7-14-11-24-18-6-5-15(22)10-16(14)18/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2
InChIKeyDXLCBCCWSBHUQJ-UHFFFAOYSA-N
XLogP4.61
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 67231541) is 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide is O=C(c1ncccc1Br)N(CCC1=CN=C2CC=C(F)C=C12)CC1CC1.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is DXLCBCCWSBHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O/c21-17-2-1-8-23-19(17)20(26)25(12-13-3-4-13)9-7-14-11-24-18-6-5-15(22)10-16(14)18/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide?
3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 416.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 67231541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).