6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide

C16H20FN3O2 — CID 167801273

IUPAC6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NC(C)C3(O)CCNC3)cc12
InChIInChI=1S/C16H20FN3O2/c1-9-5-11(17)6-13-12(9)7-14(20-13)15(21)19-10(2)16(22)3-4-18-8-16/h5-7,10,18,20,22H,3-4,8H2,1-2H3,(H,19,21)
InChIKeyHBWHZXUNPMATCO-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.46
Rot. Bonds3

About 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide

6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 167801273) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
PubChem CID167801273
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NC(C)C3(O)CCNC3)cc12
InChIInChI=1S/C16H20FN3O2/c1-9-5-11(17)6-13-12(9)7-14(20-13)15(21)19-10(2)16(22)3-4-18-8-16/h5-7,10,18,20,22H,3-4,8H2,1-2H3,(H,19,21)
InChIKeyHBWHZXUNPMATCO-UHFFFAOYSA-N
XLogP1.46
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide (CID 167801273) is 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)NC(C)C3(O)CCNC3)cc12.
What is the InChIKey of 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide?
The InChIKey is HBWHZXUNPMATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-9-5-11(17)6-13-12(9)7-14(20-13)15(21)19-10(2)16(22)3-4-18-8-16/h5-7,10,18,20,22H,3-4,8H2,1-2H3,(H,19,21).
What are the key properties of 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide?
6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167801273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).