2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide

C18H19N5O3 — CID 166373051

IUPAC2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide
SMILESC[C@@H](CCNC(=O)c1cnccn1)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H19N5O3/c1-11(4-5-21-18(26)15-10-19-6-7-20-15)22-17(25)12-2-3-14-13(8-12)9-16(24)23-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,26)(H,22,25)(H,23,24)/t11-/m0/s1
InChIKeyOECIWNJWFFFGEY-NSHDSACASA-N
MW353.38 g/mol
LogP0.91
Rot. Bonds6

About 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide

2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide (PubChem CID 166373051) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide
PubChem CID166373051
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide
SMILESC[C@@H](CCNC(=O)c1cnccn1)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H19N5O3/c1-11(4-5-21-18(26)15-10-19-6-7-20-15)22-17(25)12-2-3-14-13(8-12)9-16(24)23-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,26)(H,22,25)(H,23,24)/t11-/m0/s1
InChIKeyOECIWNJWFFFGEY-NSHDSACASA-N
XLogP0.91
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide (CID 166373051) is 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide is C[C@@H](CCNC(=O)c1cnccn1)NC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide?
The InChIKey is OECIWNJWFFFGEY-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11(4-5-21-18(26)15-10-19-6-7-20-15)22-17(25)12-2-3-14-13(8-12)9-16(24)23-14/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,21,26)(H,22,25)(H,23,24)/t11-/m0/s1.
What are the key properties of 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide?
2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 166373051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).