N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride

C22H30Cl2N4O3S — CID 67373908

IUPACN-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)cn1.Cl.Cl
InChIInChI=1S/C22H28N4O3S.2ClH/c1-30(28,29)24-21-11-10-19(15-23-21)17-6-8-18(9-7-17)22(27)26-14-4-5-20(26)16-25-12-2-3-13-25;;/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,23,24);2*1H
InChIKeyTYOWKTGZIHVYFF-UHFFFAOYSA-N
MW501.48 g/mol
LogP3.66
Rot. Bonds6

About N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride

N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride (PubChem CID 67373908) has the molecular formula C22H30Cl2N4O3S and a molecular weight of 501.48 g/mol. Its IUPAC name is N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
PubChem CID67373908
Molecular FormulaC22H30Cl2N4O3S
Molecular Weight501.48 g/mol
Exact Mass500.14
IUPAC NameN-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)cn1.Cl.Cl
InChIInChI=1S/C22H28N4O3S.2ClH/c1-30(28,29)24-21-11-10-19(15-23-21)17-6-8-18(9-7-17)22(27)26-14-4-5-20(26)16-25-12-2-3-13-25;;/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,23,24);2*1H
InChIKeyTYOWKTGZIHVYFF-UHFFFAOYSA-N
XLogP3.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride with MolForge

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Related Compounds

[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 11603549
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11582434
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
[4-[4-(4-chlorophenyl)pyrazol-1-yl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11690629
(4-pyridin-4-ylsulfanylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 67180122
1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 15951137
N-methyl-4-methylsulfonyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 67178111
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride (CID 67373908) is N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride is CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)cn1.Cl.Cl.
What is the InChIKey of N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride?
The InChIKey is TYOWKTGZIHVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S.2ClH/c1-30(28,29)24-21-11-10-19(15-23-21)17-6-8-18(9-7-17)22(27)26-14-4-5-20(26)16-25-12-2-3-13-25;;/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,23,24);2*1H.
What are the key properties of N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride?
N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride has a molecular weight of 501.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 67373908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).