N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide

C22H26N4O3S — CID 58081313

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1c(C)c(C)n(S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H26N4O3S/c1-13-11-20(23)25-15(3)19(13)12-24-22(27)21-14(2)16(4)26(17(21)5)30(28,29)18-9-7-6-8-10-18/h6-11H,12H2,1-5H3,(H2,23,25)(H,24,27)
InChIKeyGXOARBSQHJYFIT-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.17
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide (PubChem CID 58081313) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
PubChem CID58081313
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1c(C)c(C)n(S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H26N4O3S/c1-13-11-20(23)25-15(3)19(13)12-24-22(27)21-14(2)16(4)26(17(21)5)30(28,29)18-9-7-6-8-10-18/h6-11H,12H2,1-5H3,(H2,23,25)(H,24,27)
InChIKeyGXOARBSQHJYFIT-UHFFFAOYSA-N
XLogP3.17
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
4-[[1-[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 166320634
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
CID 67208629

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide (CID 58081313) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1c(C)c(C)n(S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide?
The InChIKey is GXOARBSQHJYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-13-11-20(23)25-15(3)19(13)12-24-22(27)21-14(2)16(4)26(17(21)5)30(28,29)18-9-7-6-8-10-18/h6-11H,12H2,1-5H3,(H2,23,25)(H,24,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 58081313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).