N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine

C19H20N4O2S — CID 174553681

IUPACN-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine
SMILESCNc1cc(-c2ncccc2C)n(S(=O)(=O)CC=Cc2cccnc2)c1
InChIInChI=1S/C19H20N4O2S/c1-15-6-3-10-22-19(15)18-12-17(20-2)14-23(18)26(24,25)11-5-8-16-7-4-9-21-13-16/h3-10,12-14,20H,11H2,1-2H3
InChIKeyXCETWLUADGUEEJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine

N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine (PubChem CID 174553681) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine
PubChem CID174553681
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine
SMILESCNc1cc(-c2ncccc2C)n(S(=O)(=O)CC=Cc2cccnc2)c1
InChIInChI=1S/C19H20N4O2S/c1-15-6-3-10-22-19(15)18-12-17(20-2)14-23(18)26(24,25)11-5-8-16-7-4-9-21-13-16/h3-10,12-14,20H,11H2,1-2H3
InChIKeyXCETWLUADGUEEJ-UHFFFAOYSA-N
XLogP3.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 174553607
1-[5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 174553727
5-(2-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrole-3-carbaldehyde
CID 174568427
1-[4-fluoro-5-phenyl-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 174568272
tert-butyl N-[[5-(4-fluorophenyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-yl]methyl]-N-methylcarbamate
CID 174568374
1-[1-[3-(5-bromo-3-pyridinyl)prop-2-enylsulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 174553717
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
1-[3-(6-chloro-3-pyridinyl)prop-2-enylsulfonyl]-5-phenylpyrrole-3-carbaldehyde
CID 174553623
[(E)-1-(methylamino)-1-oxo-5-pyridin-3-ylpent-4-en-2-yl]carbamic acid
CID 175536783
(E)-2-pyridin-3-ylethenesulfonamide
CID 14912437
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine?
The IUPAC name of N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine (CID 174553681) is N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine?
The canonical SMILES for N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine is CNc1cc(-c2ncccc2C)n(S(=O)(=O)CC=Cc2cccnc2)c1.
What is the InChIKey of N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine?
The InChIKey is XCETWLUADGUEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-15-6-3-10-22-19(15)18-12-17(20-2)14-23(18)26(24,25)11-5-8-16-7-4-9-21-13-16/h3-10,12-14,20H,11H2,1-2H3.
What are the key properties of N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine?
N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine has a molecular weight of 368.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-2-pyridinyl)-1-(3-pyridin-3-ylprop-2-enylsulfonyl)pyrrol-3-amine is sourced from PubChem (CID 174553681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).