1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide

C18H25N5O3S — CID 53179310

IUPAC1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
SMILESCCCNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cn2)cn1
InChIInChI=1S/C18H25N5O3S/c1-3-8-19-18(24)16-12-22(13-21-16)17-7-6-15(10-20-17)27(25,26)23-9-4-5-14(2)11-23/h6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,19,24)
InChIKeyOCCOPIRVVLGTTI-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.83
Rot. Bonds6

About 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide

1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide (PubChem CID 53179310) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
PubChem CID53179310
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
SMILESCCCNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cn2)cn1
InChIInChI=1S/C18H25N5O3S/c1-3-8-19-18(24)16-12-22(13-21-16)17-7-6-15(10-20-17)27(25,26)23-9-4-5-14(2)11-23/h6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,19,24)
InChIKeyOCCOPIRVVLGTTI-UHFFFAOYSA-N
XLogP1.83
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104559
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53202877
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179297
N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179277
2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
CID 27260668
morpholin-4-yl-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazol-4-yl]methanone
CID 53179301
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953958
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide?
The IUPAC name of 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide (CID 53179310) is 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide?
The canonical SMILES for 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide is CCCNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCC(C)C3)cn2)cn1.
What is the InChIKey of 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide?
The InChIKey is OCCOPIRVVLGTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-8-19-18(24)16-12-22(13-21-16)17-7-6-15(10-20-17)27(25,26)23-9-4-5-14(2)11-23/h6-7,10,12-14H,3-5,8-9,11H2,1-2H3,(H,19,24).
What are the key properties of 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide?
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide is sourced from PubChem (CID 53179310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).