N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

C19H21N3O2 — CID 97126647

IUPACN-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NC[C@@H](O)c3ccccn3)c(C)c2c1
InChIInChI=1S/C19H21N3O2/c1-11-8-12(2)17-14(9-11)13(3)18(22-17)19(24)21-10-16(23)15-6-4-5-7-20-15/h4-9,16,22-23H,10H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyLLXYKONXBLETOF-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 97126647) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID97126647
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NC[C@@H](O)c3ccccn3)c(C)c2c1
InChIInChI=1S/C19H21N3O2/c1-11-8-12(2)17-14(9-11)13(3)18(22-17)19(24)21-10-16(23)15-6-4-5-7-20-15/h4-9,16,22-23H,10H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyLLXYKONXBLETOF-MRXNPFEDSA-N
XLogP2.95
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 97126647) is N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)NC[C@@H](O)c3ccccn3)c(C)c2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is LLXYKONXBLETOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-8-12(2)17-14(9-11)13(3)18(22-17)19(24)21-10-16(23)15-6-4-5-7-20-15/h4-9,16,22-23H,10H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 97126647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).