N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide

C18H22N4O3S — CID 152861408

IUPACN-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCCC3)c2)ccn1
InChIInChI=1S/C18H22N4O3S/c1-13(23)9-17-10-15(5-6-19-17)16-11-18(14(2)20-12-16)21-26(24,25)22-7-3-4-8-22/h5-6,10-12,21H,3-4,7-9H2,1-2H3
InChIKeyTXPKXZYPSRUFOS-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.34
Rot. Bonds6

About N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide

N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 152861408) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID152861408
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCCC3)c2)ccn1
InChIInChI=1S/C18H22N4O3S/c1-13(23)9-17-10-15(5-6-19-17)16-11-18(14(2)20-12-16)21-26(24,25)22-7-3-4-8-22/h5-6,10-12,21H,3-4,7-9H2,1-2H3
InChIKeyTXPKXZYPSRUFOS-UHFFFAOYSA-N
XLogP2.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
CID 159227268
2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 149427022
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293550
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
CID 154467539
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide (CID 152861408) is N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)N3CCCC3)c2)ccn1.
What is the InChIKey of N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is TXPKXZYPSRUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13(23)9-17-10-15(5-6-19-17)16-11-18(14(2)20-12-16)21-26(24,25)22-7-3-4-8-22/h5-6,10-12,21H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide?
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 152861408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).