5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

C15H12FN3O — CID 4908077

IUPAC5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C15H12FN3O/c16-11-4-5-13-10(7-11)8-14(19-13)15(20)18-9-12-3-1-2-6-17-12/h1-8,19H,9H2,(H,18,20)
InChIKeyOKEABGVVSKQUTL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.63
Rot. Bonds3

About 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 4908077) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID4908077
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C15H12FN3O/c16-11-4-5-13-10(7-11)8-14(19-13)15(20)18-9-12-3-1-2-6-17-12/h1-8,19H,9H2,(H,18,20)
InChIKeyOKEABGVVSKQUTL-UHFFFAOYSA-N
XLogP2.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (CID 4908077) is 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is O=C(NCc1ccccn1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is OKEABGVVSKQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-4-5-13-10(7-11)8-14(19-13)15(20)18-9-12-3-1-2-6-17-12/h1-8,19H,9H2,(H,18,20).
What are the key properties of 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).