6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide

C13H19N3O2 — CID 111445550

IUPAC6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCC2(O)CCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-16(2)11-5-4-10(8-14-11)12(17)15-9-13(18)6-3-7-13/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyGJQRWHVOFYEOMO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide (PubChem CID 111445550) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
PubChem CID111445550
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCC2(O)CCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-16(2)11-5-4-10(8-14-11)12(17)15-9-13(18)6-3-7-13/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyGJQRWHVOFYEOMO-UHFFFAOYSA-N
XLogP0.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
N-[(1-hydroxycyclobutyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111539349
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide (CID 111445550) is 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCC2(O)CCC2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide?
The InChIKey is GJQRWHVOFYEOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)11-5-4-10(8-14-11)12(17)15-9-13(18)6-3-7-13/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 111445550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).