2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide

C18H23N3O2S — CID 138036214

IUPAC2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(c2cccs2)C2(CO)CCC2)ccn1
InChIInChI=1S/C18H23N3O2S/c1-21(2)15-11-13(6-9-19-15)17(23)20-16(14-5-3-10-24-14)18(12-22)7-4-8-18/h3,5-6,9-11,16,22H,4,7-8,12H2,1-2H3,(H,20,23)
InChIKeySGKHSPGQZCWEKM-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.84
Rot. Bonds6

About 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide

2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide (PubChem CID 138036214) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide
PubChem CID138036214
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(c2cccs2)C2(CO)CCC2)ccn1
InChIInChI=1S/C18H23N3O2S/c1-21(2)15-11-13(6-9-19-15)17(23)20-16(14-5-3-10-24-14)18(12-22)7-4-8-18/h3,5-6,9-11,16,22H,4,7-8,12H2,1-2H3,(H,20,23)
InChIKeySGKHSPGQZCWEKM-UHFFFAOYSA-N
XLogP2.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide
CID 138036216
N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide
CID 146140088
2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 94161744
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
2-(dimethylamino)-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115869951
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
2-(3-bromo-4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
CID 138007857
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide (CID 138036214) is 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)NC(c2cccs2)C2(CO)CCC2)ccn1.
What is the InChIKey of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The InChIKey is SGKHSPGQZCWEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(2)15-11-13(6-9-19-15)17(23)20-16(14-5-3-10-24-14)18(12-22)7-4-8-18/h3,5-6,9-11,16,22H,4,7-8,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 138036214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).