(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide

C16H19N3O3S — CID 129397342

IUPAC(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C16H19N3O3S/c1-12(11-23(2,21)22)16(20)19-14-8-9-15(17-10-14)18-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyRQDSULWSYVIOOC-LBPRGKRZSA-N
MW333.41 g/mol
LogP2.44
Rot. Bonds6

About (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide

(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide (PubChem CID 129397342) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide
PubChem CID129397342
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide
SMILESC[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C16H19N3O3S/c1-12(11-23(2,21)22)16(20)19-14-8-9-15(17-10-14)18-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyRQDSULWSYVIOOC-LBPRGKRZSA-N
XLogP2.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-anilino-3-pyridinyl)-2-chloro-2-(3,5,7-trimethyl-1-adamantyl)acetamide
CID 110179060
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea
CID 110179243
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide (CID 129397342) is (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide is C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Nc2ccccc2)nc1.
What is the InChIKey of (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide?
The InChIKey is RQDSULWSYVIOOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(11-23(2,21)22)16(20)19-14-8-9-15(17-10-14)18-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide?
(2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-anilino-3-pyridinyl)-2-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 129397342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).