2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide

C16H20N4O3S — CID 51082269

IUPAC2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C16H20N4O3S/c1-19-9-3-5-13(19)14-6-4-10-20(14)16(21)18-12-7-8-15(17-11-12)24(2,22)23/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,18,21)
InChIKeyMVQWYCFZVWUTCI-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.19
Rot. Bonds3

About 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide

2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 51082269) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID51082269
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C16H20N4O3S/c1-19-9-3-5-13(19)14-6-4-10-20(14)16(21)18-12-7-8-15(17-11-12)24(2,22)23/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,18,21)
InChIKeyMVQWYCFZVWUTCI-UHFFFAOYSA-N
XLogP2.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 124628090
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide
CID 95310608
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 71937782
(2S)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402238
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 97186286
(2R)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402239
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
CID 95903641

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 51082269) is 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide is Cn1cccc1C1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is MVQWYCFZVWUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-19-9-3-5-13(19)14-6-4-10-20(14)16(21)18-12-7-8-15(17-11-12)24(2,22)23/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide?
2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51082269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).