(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide

C21H30N4O2S — CID 124976984

IUPAC(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1
InChIInChI=1S/C21H30N4O2S/c1-5-24(6-2)28(26,27)25-12-11-18(15-25)21-14-20(13-17(4)22-21)23-19-9-7-16(3)8-10-19/h7-10,13-14,18H,5-6,11-12,15H2,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyLJFVKUHDSAJNAO-GOSISDBHSA-N
MW402.56 g/mol
LogP3.82
Rot. Bonds7

About (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide

(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 124976984) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID124976984
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1
InChIInChI=1S/C21H30N4O2S/c1-5-24(6-2)28(26,27)25-12-11-18(15-25)21-14-20(13-17(4)22-21)23-19-9-7-16(3)8-10-19/h7-10,13-14,18H,5-6,11-12,15H2,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyLJFVKUHDSAJNAO-GOSISDBHSA-N
XLogP3.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide 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

(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
2-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-6-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 124946726
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875
N,N-diethyl-4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093129
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093124
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 124976984) is (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1.
What is the InChIKey of (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is LJFVKUHDSAJNAO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-5-24(6-2)28(26,27)25-12-11-18(15-25)21-14-20(13-17(4)22-21)23-19-9-7-16(3)8-10-19/h7-10,13-14,18H,5-6,11-12,15H2,1-4H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124976984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).