(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C18H21N3O2 — CID 37303795

IUPAC(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cn1
InChIInChI=1S/C18H21N3O2/c1-12-10-14-6-4-5-7-16(14)21(12)18(22)13(2)20-15-8-9-17(23-3)19-11-15/h4-9,11-13,20H,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyICMVWTYPAFVAKI-QWHCGFSZSA-N
MW311.39 g/mol
LogP2.87
Rot. Bonds4

About (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 37303795) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID37303795
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cn1
InChIInChI=1S/C18H21N3O2/c1-12-10-14-6-4-5-7-16(14)21(12)18(22)13(2)20-15-8-9-17(23-3)19-11-15/h4-9,11-13,20H,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyICMVWTYPAFVAKI-QWHCGFSZSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 52511172
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122058030
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 37303795) is (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cn1.
What is the InChIKey of (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is ICMVWTYPAFVAKI-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-10-14-6-4-5-7-16(14)21(12)18(22)13(2)20-15-8-9-17(23-3)19-11-15/h4-9,11-13,20H,10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 311.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 37303795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).