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

C24H23N3O3 — CID 118425002

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(Cn2ccc3cc(-c4cc(C(N)=O)nc([C@H](O)CO)c4)ccc32)cc1
InChIInChI=1S/C24H23N3O3/c1-15-2-4-16(5-3-15)13-27-9-8-18-10-17(6-7-22(18)27)19-11-20(23(29)14-28)26-21(12-19)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m1/s1
InChIKeyWKZKFQQZMLQPCO-HSZRJFAPSA-N
MW401.47 g/mol
LogP3.18
Rot. Bonds6

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

6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 118425002) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID118425002
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(Cn2ccc3cc(-c4cc(C(N)=O)nc([C@H](O)CO)c4)ccc32)cc1
InChIInChI=1S/C24H23N3O3/c1-15-2-4-16(5-3-15)13-27-9-8-18-10-17(6-7-22(18)27)19-11-20(23(29)14-28)26-21(12-19)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m1/s1
InChIKeyWKZKFQQZMLQPCO-HSZRJFAPSA-N
XLogP3.18
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.18
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-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide (CID 118425002) is 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide is Cc1ccc(Cn2ccc3cc(-c4cc(C(N)=O)nc([C@H](O)CO)c4)ccc32)cc1.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is WKZKFQQZMLQPCO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-2-4-16(5-3-15)13-27-9-8-18-10-17(6-7-22(18)27)19-11-20(23(29)14-28)26-21(12-19)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m1/s1.
What are the key properties of 6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
6-[(1S)-1,2-dihydroxyethyl]-4-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.18, 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-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).