3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide

C19H20N4O3 — CID 92628849

IUPAC3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccn3)c(NC(C)=O)c2c1
InChIInChI=1S/C19H20N4O3/c1-11(15-6-4-5-9-20-15)21-19(25)18-17(22-12(2)24)14-10-13(26-3)7-8-16(14)23-18/h4-11,23H,1-3H3,(H,21,25)(H,22,24)/t11-/m1/s1
InChIKeyJVTBBOXNXCJKTE-LLVKDONJSA-N
MW352.39 g/mol
LogP3.02
Rot. Bonds5

About 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide

3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide (PubChem CID 92628849) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
PubChem CID92628849
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccn3)c(NC(C)=O)c2c1
InChIInChI=1S/C19H20N4O3/c1-11(15-6-4-5-9-20-15)21-19(25)18-17(22-12(2)24)14-10-13(26-3)7-8-16(14)23-18/h4-11,23H,1-3H3,(H,21,25)(H,22,24)/t11-/m1/s1
InChIKeyJVTBBOXNXCJKTE-LLVKDONJSA-N
XLogP3.02
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 51592403
4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
CID 154840617
4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 17391873
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 113205404
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492690
1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114040
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide (CID 92628849) is 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccn3)c(NC(C)=O)c2c1.
What is the InChIKey of 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is JVTBBOXNXCJKTE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11(15-6-4-5-9-20-15)21-19(25)18-17(22-12(2)24)14-10-13(26-3)7-8-16(14)23-18/h4-11,23H,1-3H3,(H,21,25)(H,22,24)/t11-/m1/s1.
What are the key properties of 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 92628849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).