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

C20H23N3O3 — CID 118414037

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(-c3cc(C(N)=O)nc([C@H](O)CO)c3)ccc21
InChIInChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)15-8-16(19(25)11-24)22-17(9-15)20(21)26/h3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t19-/m1/s1
InChIKeyVZMVHFYKSVDNBC-LJQANCHMSA-N
MW353.42 g/mol
LogP2.48
Rot. Bonds6

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

6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide (PubChem CID 118414037) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
PubChem CID118414037
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(-c3cc(C(N)=O)nc([C@H](O)CO)c3)ccc21
InChIInChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)15-8-16(19(25)11-24)22-17(9-15)20(21)26/h3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t19-/m1/s1
InChIKeyVZMVHFYKSVDNBC-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 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide (CID 118414037) is 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide is CC(C)Cn1ccc2cc(-c3cc(C(N)=O)nc([C@H](O)CO)c3)ccc21.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The InChIKey is VZMVHFYKSVDNBC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)10-23-6-5-14-7-13(3-4-18(14)23)15-8-16(19(25)11-24)22-17(9-15)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 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
6-[(1S)-1,2-dihydroxyethyl]-4-[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 6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118414037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).