3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea

C15H22N4O4 — CID 112532014

IUPAC3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCOCC2CO)ccn1
InChIInChI=1S/C15H22N4O4/c1-18(2)15(22)17-8-12-7-11(3-4-16-12)14(21)19-5-6-23-10-13(19)9-20/h3-4,7,13,20H,5-6,8-10H2,1-2H3,(H,17,22)
InChIKeyJFYOJXQPQWKZNU-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.31
Rot. Bonds4

About 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea

3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea (PubChem CID 112532014) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
PubChem CID112532014
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCOCC2CO)ccn1
InChIInChI=1S/C15H22N4O4/c1-18(2)15(22)17-8-12-7-11(3-4-16-12)14(21)19-5-6-23-10-13(19)9-20/h3-4,7,13,20H,5-6,8-10H2,1-2H3,(H,17,22)
InChIKeyJFYOJXQPQWKZNU-UHFFFAOYSA-N
XLogP-0.31
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
CID 118793260
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
methyl 1-[2-[(dimethylcarbamoylamino)methyl]pyridine-4-carbonyl]piperidine-3-carboxylate
CID 112531632
3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532223
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea (CID 112532014) is 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cc(C(=O)N2CCOCC2CO)ccn1.
What is the InChIKey of 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The InChIKey is JFYOJXQPQWKZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-18(2)15(22)17-8-12-7-11(3-4-16-12)14(21)19-5-6-23-10-13(19)9-20/h3-4,7,13,20H,5-6,8-10H2,1-2H3,(H,17,22).
What are the key properties of 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea has a molecular weight of 322.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 112532014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).