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

C24H23N3O3 — CID 118425003

IUPAC4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(Cn2ccc3cc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)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)20-11-19(23(29)14-28)12-21(26-20)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m0/s1
InChIKeyBRJDCAIREDXDCC-QHCPKHFHSA-N
MW401.47 g/mol
LogP3.18
Rot. Bonds6

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

4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 118425003) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID118425003
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(Cn2ccc3cc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)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)20-11-19(23(29)14-28)12-21(26-20)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m0/s1
InChIKeyBRJDCAIREDXDCC-QHCPKHFHSA-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 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide (CID 118425003) is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide is Cc1ccc(Cn2ccc3cc(-c4cc([C@@H](O)CO)cc(C(N)=O)n4)ccc32)cc1.
What is the InChIKey of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is BRJDCAIREDXDCC-QHCPKHFHSA-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)20-11-19(23(29)14-28)12-21(26-20)24(25)30/h2-12,23,28-29H,13-14H2,1H3,(H2,25,30)/t23-/m0/s1.
What are the key properties of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide?
4-[(1R)-1,2-dihydroxyethyl]-6-[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 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118425003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).