N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C18H27N5O4S — CID 92623221

IUPACN-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CNS(C)(=O)=O)nc2)CC1
InChIInChI=1S/C18H27N5O4S/c1-21-8-10-22(11-9-21)18(25)14-5-6-15(19-12-14)16-4-3-7-23(16)17(24)13-20-28(2,26)27/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3/t16-/m1/s1
InChIKeyRHKBYCXGWIVETL-MRXNPFEDSA-N
MW409.51 g/mol
LogP-0.32
Rot. Bonds5

About N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 92623221) has the molecular formula C18H27N5O4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID92623221
Molecular FormulaC18H27N5O4S
Molecular Weight409.51 g/mol
Exact Mass409.18
IUPAC NameN-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CNS(C)(=O)=O)nc2)CC1
InChIInChI=1S/C18H27N5O4S/c1-21-8-10-22(11-9-21)18(25)14-5-6-15(19-12-14)16-4-3-7-23(16)17(24)13-20-28(2,26)27/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3/t16-/m1/s1
InChIKeyRHKBYCXGWIVETL-MRXNPFEDSA-N
XLogP-0.32
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide 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-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 110264458
N-cyclopentyl-6-[1-[2-(methanesulfonamido)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 92622486
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110264477
[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264257
2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92623245
N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110118471
N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261232

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 92623221) is N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CNS(C)(=O)=O)nc2)CC1.
What is the InChIKey of N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is RHKBYCXGWIVETL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O4S/c1-21-8-10-22(11-9-21)18(25)14-5-6-15(19-12-14)16-4-3-7-23(16)17(24)13-20-28(2,26)27/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 92623221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).