N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide

C20H25N3O3S — CID 110291796

IUPACN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-4-2-3-15-23(16)27(25,26)19-7-5-17(6-8-19)9-14-22-20(24)18-10-12-21-13-11-18/h5-8,10-13,16H,2-4,9,14-15H2,1H3,(H,22,24)
InChIKeyAYTDDQRPGJKGGG-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide

N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide (PubChem CID 110291796) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
PubChem CID110291796
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-4-2-3-15-23(16)27(25,26)19-7-5-17(6-8-19)9-14-22-20(24)18-10-12-21-13-11-18/h5-8,10-13,16H,2-4,9,14-15H2,1H3,(H,22,24)
InChIKeyAYTDDQRPGJKGGG-UHFFFAOYSA-N
XLogP2.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55535664
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide (CID 110291796) is N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide is CC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is AYTDDQRPGJKGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-4-2-3-15-23(16)27(25,26)19-7-5-17(6-8-19)9-14-22-20(24)18-10-12-21-13-11-18/h5-8,10-13,16H,2-4,9,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide?
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110291796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).