2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide

C13H19N3O2 — CID 66006489

IUPAC2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H19N3O2/c1-16(2)12-7-10(3-4-14-12)13(18)15-8-9-5-11(17)6-9/h3-4,7,9,11,17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyATWIGYPINZWEIR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds4

About 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide

2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide (PubChem CID 66006489) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
PubChem CID66006489
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H19N3O2/c1-16(2)12-7-10(3-4-14-12)13(18)15-8-9-5-11(17)6-9/h3-4,7,9,11,17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyATWIGYPINZWEIR-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
CID 120945876
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
CID 146113624
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide (CID 66006489) is 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)NCC2CC(O)C2)ccn1.
What is the InChIKey of 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The InChIKey is ATWIGYPINZWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)12-7-10(3-4-14-12)13(18)15-8-9-5-11(17)6-9/h3-4,7,9,11,17H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66006489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).