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

C15H22N4O3 — CID 112531945

IUPAC3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCCC2CO)ccn1
InChIInChI=1S/C15H22N4O3/c1-18(2)15(22)17-9-12-8-11(5-6-16-12)14(21)19-7-3-4-13(19)10-20/h5-6,8,13,20H,3-4,7,9-10H2,1-2H3,(H,17,22)
InChIKeyVVBXPPGPRPNHMN-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.45
Rot. Bonds4

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

3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea (PubChem CID 112531945) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
PubChem CID112531945
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc(C(=O)N2CCCC2CO)ccn1
InChIInChI=1S/C15H22N4O3/c1-18(2)15(22)17-9-12-8-11(5-6-16-12)14(21)19-7-3-4-13(19)10-20/h5-6,8,13,20H,3-4,7,9-10H2,1-2H3,(H,17,22)
InChIKeyVVBXPPGPRPNHMN-UHFFFAOYSA-N
XLogP0.45
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014
methyl 1-[2-[(dimethylcarbamoylamino)methyl]pyridine-4-carbonyl]piperidine-3-carboxylate
CID 112531632
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532223
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
CID 112531565
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea (CID 112531945) is 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cc(C(=O)N2CCCC2CO)ccn1.
What is the InChIKey of 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
The InChIKey is VVBXPPGPRPNHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18(2)15(22)17-9-12-8-11(5-6-16-12)14(21)19-7-3-4-13(19)10-20/h5-6,8,13,20H,3-4,7,9-10H2,1-2H3,(H,17,22).
What are the key properties of 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea?
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea has a molecular weight of 306.37 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 112531945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).