4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide

C20H23N3O3 — CID 118414276

IUPAC4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(-c3cc([C@H](O)CO)cc(C(N)=O)n3)ccc21
InChIInChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)16-8-15(19(25)11-24)9-17(22-16)20(21)26/h3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t19-/m1/s1
InChIKeyLTSTVPGDKUKKJA-LJQANCHMSA-N
MW353.42 g/mol
LogP2.48
Rot. Bonds6

About 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide

4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide (PubChem CID 118414276) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
PubChem CID118414276
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(-c3cc([C@H](O)CO)cc(C(N)=O)n3)ccc21
InChIInChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)16-8-15(19(25)11-24)9-17(22-16)20(21)26/h3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t19-/m1/s1
InChIKeyLTSTVPGDKUKKJA-LJQANCHMSA-N
XLogP2.48
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide (CID 118414276) is 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide is CC(C)Cn1ccc2cc(-c3cc([C@H](O)CO)cc(C(N)=O)n3)ccc21.
What is the InChIKey of 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The InChIKey is LTSTVPGDKUKKJA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)16-8-15(19(25)11-24)9-17(22-16)20(21)26/h3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t19-/m1/s1.
What are the key properties of 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118414276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).