(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

C17H23N5O3S — CID 95073348

IUPAC(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccn3)C2)c1
InChIInChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-4-5-14(10-22)17(23)20-15-9-13(2)6-7-18-15/h6-7,9,11-12,14H,3-5,8,10H2,1-2H3,(H,18,20,23)/t14-/m1/s1
InChIKeyNGYDLGFFTUSZKW-CQSZACIVSA-N
MW377.47 g/mol
LogP1.65
Rot. Bonds5

About (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 95073348) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID95073348
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccn3)C2)c1
InChIInChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-4-5-14(10-22)17(23)20-15-9-13(2)6-7-18-15/h6-7,9,11-12,14H,3-5,8,10H2,1-2H3,(H,18,20,23)/t14-/m1/s1
InChIKeyNGYDLGFFTUSZKW-CQSZACIVSA-N
XLogP1.65
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085636
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 95073348) is (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccn3)C2)c1.
What is the InChIKey of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is NGYDLGFFTUSZKW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-4-5-14(10-22)17(23)20-15-9-13(2)6-7-18-15/h6-7,9,11-12,14H,3-5,8,10H2,1-2H3,(H,18,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 95073348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).