N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

C21H23N5O3S — CID 53179277

IUPACN-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C21H23N5O3S/c1-2-16-7-3-4-8-18(16)24-21(27)19-14-25(15-23-19)20-10-9-17(13-22-20)30(28,29)26-11-5-6-12-26/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,24,27)
InChIKeyCMIRTLCSYGOORZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.87
Rot. Bonds6

About N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 53179277) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID53179277
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C21H23N5O3S/c1-2-16-7-3-4-8-18(16)24-21(27)19-14-25(15-23-19)20-10-9-17(13-22-20)30(28,29)26-11-5-6-12-26/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,24,27)
InChIKeyCMIRTLCSYGOORZ-UHFFFAOYSA-N
XLogP2.87
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179297
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
CID 53179310
morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
CID 53179301
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53202877
N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104559
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
N-(2-ethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195835
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (CID 53179277) is N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is CCc1ccccc1NC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1.
What is the InChIKey of N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is CMIRTLCSYGOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-2-16-7-3-4-8-18(16)24-21(27)19-14-25(15-23-19)20-10-9-17(13-22-20)30(28,29)26-11-5-6-12-26/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,24,27).
What are the key properties of N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 53179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).