1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea

C15H17N3O3 — CID 97185687

IUPAC1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCOc1ccc([C@H](CO)NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-4-11(5-7-13)14(10-19)18-15(20)17-12-3-2-8-16-9-12/h2-9,14,19H,10H2,1H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyHLHCZJGHMAKHTM-AWEZNQCLSA-N
MW287.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea

1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea (PubChem CID 97185687) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
PubChem CID97185687
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCOc1ccc([C@H](CO)NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-4-11(5-7-13)14(10-19)18-15(20)17-12-3-2-8-16-9-12/h2-9,14,19H,10H2,1H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyHLHCZJGHMAKHTM-AWEZNQCLSA-N
XLogP1.95
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
1-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]ethyl]-3-pyridin-3-ylurea
CID 56924989
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-[(1S)-2-hydroxy-1-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 95730947
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea (CID 97185687) is 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea is COc1ccc([C@H](CO)NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is HLHCZJGHMAKHTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-13-6-4-11(5-7-13)14(10-19)18-15(20)17-12-3-2-8-16-9-12/h2-9,14,19H,10H2,1H3,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea?
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 287.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 97185687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).