N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C17H22N4O4S — CID 46411016

IUPACN-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cn1
InChIInChI=1S/C17H22N4O4S/c1-20-12-14(26(23,24)21-8-4-3-5-9-21)10-15(20)17(22)19-13-6-7-16(25-2)18-11-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyWSXDMONABYNAGS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.86
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 46411016) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID46411016
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cn1
InChIInChI=1S/C17H22N4O4S/c1-20-12-14(26(23,24)21-8-4-3-5-9-21)10-15(20)17(22)19-13-6-7-16(25-2)18-11-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyWSXDMONABYNAGS-UHFFFAOYSA-N
XLogP1.86
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55635201
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55630703
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55854247
N-(1-tert-butylpyrazol-4-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86860488
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 46411016) is N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is WSXDMONABYNAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-20-12-14(26(23,24)21-8-4-3-5-9-21)10-15(20)17(22)19-13-6-7-16(25-2)18-11-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 46411016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).