N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

C22H30N4O2S — CID 17394006

IUPACN-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccccc2CN2CCCC2)nc1
InChIInChI=1S/C22H30N4O2S/c27-29(28,25-20-9-3-4-10-20)21-11-12-22(24-16-21)23-15-18-7-1-2-8-19(18)17-26-13-5-6-14-26/h1-2,7-8,11-12,16,20,25H,3-6,9-10,13-15,17H2,(H,23,24)
InChIKeyFBGCVINXAGEXDC-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.51
Rot. Bonds8

About N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide (PubChem CID 17394006) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
PubChem CID17394006
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccccc2CN2CCCC2)nc1
InChIInChI=1S/C22H30N4O2S/c27-29(28,25-20-9-3-4-10-20)21-11-12-22(24-16-21)23-15-18-7-1-2-8-19(18)17-26-13-5-6-14-26/h1-2,7-8,11-12,16,20,25H,3-6,9-10,13-15,17H2,(H,23,24)
InChIKeyFBGCVINXAGEXDC-UHFFFAOYSA-N
XLogP3.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
CID 18133007
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 62149094
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96664604
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide (CID 17394006) is N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc(NCc2ccccc2CN2CCCC2)nc1.
What is the InChIKey of N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is FBGCVINXAGEXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c27-29(28,25-20-9-3-4-10-20)21-11-12-22(24-16-21)23-15-18-7-1-2-8-19(18)17-26-13-5-6-14-26/h1-2,7-8,11-12,16,20,25H,3-6,9-10,13-15,17H2,(H,23,24).
What are the key properties of N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 414.58 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 17394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).