N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide

C17H19N3O3 — CID 99873607

IUPACN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H](O)c3cccn3C)[nH]c2c1
InChIInChI=1S/C17H19N3O3/c1-20-7-3-4-15(20)16(21)10-18-17(22)14-8-11-5-6-12(23-2)9-13(11)19-14/h3-9,16,19,21H,10H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyICRORNFTYZCOBM-MRXNPFEDSA-N
MW313.36 g/mol
LogP1.98
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide

N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 99873607) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID99873607
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H](O)c3cccn3C)[nH]c2c1
InChIInChI=1S/C17H19N3O3/c1-20-7-3-4-15(20)16(21)10-18-17(22)14-8-11-5-6-12(23-2)9-13(11)19-14/h3-9,16,19,21H,10H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyICRORNFTYZCOBM-MRXNPFEDSA-N
XLogP1.98
TPSA79.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99903134
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95982613
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 122266074
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide (CID 99873607) is N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC[C@@H](O)c3cccn3C)[nH]c2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is ICRORNFTYZCOBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-7-3-4-15(20)16(21)10-18-17(22)14-8-11-5-6-12(23-2)9-13(11)19-14/h3-9,16,19,21H,10H2,1-2H3,(H,18,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 99873607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).