1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea

C17H22N4O3 — CID 94818055

IUPAC1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
SMILESCN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H22N4O3/c1-21(2)11-14(22)12-24-15-8-6-13(7-9-15)19-17(23)20-16-5-3-4-10-18-16/h3-10,14,22H,11-12H2,1-2H3,(H2,18,19,20,23)/t14-/m1/s1
InChIKeyOEOFDRLBFRLOLA-CQSZACIVSA-N
MW330.39 g/mol
LogP2.03
Rot. Bonds7

About 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea

1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea (PubChem CID 94818055) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
PubChem CID94818055
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
SMILESCN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C17H22N4O3/c1-21(2)11-14(22)12-24-15-8-6-13(7-9-15)19-17(23)20-16-5-3-4-10-18-16/h3-10,14,22H,11-12H2,1-2H3,(H2,18,19,20,23)/t14-/m1/s1
InChIKeyOEOFDRLBFRLOLA-CQSZACIVSA-N
XLogP2.03
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 47085454
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 146131702
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 71914612

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea (CID 94818055) is 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea is CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea?
The InChIKey is OEOFDRLBFRLOLA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-21(2)11-14(22)12-24-15-8-6-13(7-9-15)19-17(23)20-16-5-3-4-10-18-16/h3-10,14,22H,11-12H2,1-2H3,(H2,18,19,20,23)/t14-/m1/s1.
What are the key properties of 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea?
1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea has a molecular weight of 330.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94818055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).