N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

C21H23N5O3S — CID 53179297

IUPACN-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C21H23N5O3S/c1-16-6-2-3-7-17(16)12-23-21(27)19-14-25(15-24-19)20-9-8-18(13-22-20)30(28,29)26-10-4-5-11-26/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,27)
InChIKeyFCDOCONRQIKRNC-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.29
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide

N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 53179297) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID53179297
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1
InChIInChI=1S/C21H23N5O3S/c1-16-6-2-3-7-17(16)12-23-21(27)19-14-25(15-24-19)20-9-8-18(13-22-20)30(28,29)26-10-4-5-11-26/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,27)
InChIKeyFCDOCONRQIKRNC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179277
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53202877
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
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
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
CID 53178850
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104559
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
2-methyl-1-[(2-methylphenyl)methyl]-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111360211
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide (CID 53179297) is N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is Cc1ccccc1CNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is FCDOCONRQIKRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-16-6-2-3-7-17(16)12-23-21(27)19-14-25(15-24-19)20-9-8-18(13-22-20)30(28,29)26-10-4-5-11-26/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,27).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide?
N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 53179297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).