(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide

C16H17N3O3S — CID 27700275

IUPAC(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3ccncc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H17N3O3S/c1-11-9-13-10-12(3-4-15(13)19(11)23(2,21)22)16(20)18-14-5-7-17-8-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,18,20)/t11-/m1/s1
InChIKeyBHCKYESANZQUKH-LLVKDONJSA-N
MW331.40 g/mol
LogP2.04
Rot. Bonds3

About (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide (PubChem CID 27700275) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
PubChem CID27700275
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)Nc3ccncc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H17N3O3S/c1-11-9-13-10-12(3-4-15(13)19(11)23(2,21)22)16(20)18-14-5-7-17-8-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,18,20)/t11-/m1/s1
InChIKeyBHCKYESANZQUKH-LLVKDONJSA-N
XLogP2.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
2-methyl-1-methylsulfonyl-N-pyridin-3-yl-2,3-dihydroindole-5-carboxamide
CID 51221434
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
(2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9279034
2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 78808548
N-[4-(difluoromethoxy)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46612241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide (CID 27700275) is (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)Nc3ccncc3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BHCKYESANZQUKH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-9-13-10-12(3-4-15(13)19(11)23(2,21)22)16(20)18-14-5-7-17-8-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 27700275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).