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

C40H46N6O6 — CID 158019055

IUPAC4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(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.CC(C)Cn1ccc2cc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)ccc21
InChIInChI=1S/2C20H23N3O3/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;1-12(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/h2*3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t2*19-/m01/s1
InChIKeyFFVLDSZPPAHDQH-JGKUQDCHSA-N
MW706.84 g/mol
LogP4.97
Rot. Bonds12

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

4-[(1R)-1,2-dihydroxyethyl]-6-[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 158019055) has the molecular formula C40H46N6O6 and a molecular weight of 706.84 g/mol. Its IUPAC name is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1,2-dihydroxyethyl]-6-[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 CID158019055
Molecular FormulaC40H46N6O6
Molecular Weight706.84 g/mol
Exact Mass706.35
IUPAC Name4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(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.CC(C)Cn1ccc2cc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)ccc21
InChIInChI=1S/2C20H23N3O3/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;1-12(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/h2*3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t2*19-/m01/s1
InChIKeyFFVLDSZPPAHDQH-JGKUQDCHSA-N
XLogP4.97
TPSA202.74 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.84
LogP ≤ 54.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

(R)-6-(1,2-dihydroxyethyl)-4-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)picolinamide
CID 118413911
(R)-4-(1,2-dihydroxyethyl)-6-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)picolinamide
CID 118414056
(S)-4-(1,2-dihydroxyethyl)-6-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)picolinamide
CID 118414066
(S)-6-(1,2-dihydroxyethyl)-4-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)picolinamide
CID 118414362
(S)-6-(1,2-dihydroxyethyl)-4-(1-isobutyl-1H-indol-5-yl)picolinamide
CID 118414037
(S)-4-(1,2-dihydroxyethyl)-6-(1-isobutyl-1H-indol-5-yl)picolinamide
CID 118414276
1-(2,3-dihydroxypropyl)-N,N-dimethyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide
CID 24958730
1-(2,3-Dihydroxypropyl)-6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one
CID 59437306
6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 90378951
6-(1,2-Dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
CID 118413913
4-(1,2-Dihydroxyethyl)-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
CID 118414058
1-[2-[(2S,4R)-4-fluoro-2-(3-phenylpropylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(1-hydroxyethyl)indole-5-carboxylic acid
CID 126638856

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide (CID 158019055) is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;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.CC(C)Cn1ccc2cc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)ccc21.
What is the InChIKey of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
The InChIKey is FFVLDSZPPAHDQH-JGKUQDCHSA-N. The full InChI is InChI=1S/2C20H23N3O3/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;1-12(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/h2*3-9,12,19,24-25H,10-11H2,1-2H3,(H2,21,26)/t2*19-/m01/s1.
What are the key properties of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide?
4-[(1R)-1,2-dihydroxyethyl]-6-[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 706.84 g/mol, XLogP of 4.97, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide;6-[(1S)-1,2-dihydroxyethyl]-4-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158019055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).