1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea

C17H21N3O4 — CID 95981174

IUPAC1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea
SMILESCOc1ccc(Oc2ncccc2NC(=O)N[C@@H](C)CCO)cc1
InChIInChI=1S/C17H21N3O4/c1-12(9-11-21)19-17(22)20-15-4-3-10-18-16(15)24-14-7-5-13(23-2)6-8-14/h3-8,10,12,21H,9,11H2,1-2H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyDYYSLKHLMBZNNL-LBPRGKRZSA-N
MW331.37 g/mol
LogP2.77
Rot. Bonds7

About 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea

1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea (PubChem CID 95981174) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea
PubChem CID95981174
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea
SMILESCOc1ccc(Oc2ncccc2NC(=O)N[C@@H](C)CCO)cc1
InChIInChI=1S/C17H21N3O4/c1-12(9-11-21)19-17(22)20-15-4-3-10-18-16(15)24-14-7-5-13(23-2)6-8-14/h3-8,10,12,21H,9,11H2,1-2H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyDYYSLKHLMBZNNL-LBPRGKRZSA-N
XLogP2.77
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea with MolForge

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
2-bromo-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55764139
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 55763738
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55764141
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea (CID 95981174) is 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea is COc1ccc(Oc2ncccc2NC(=O)N[C@@H](C)CCO)cc1.
What is the InChIKey of 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea?
The InChIKey is DYYSLKHLMBZNNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(9-11-21)19-17(22)20-15-4-3-10-18-16(15)24-14-7-5-13(23-2)6-8-14/h3-8,10,12,21H,9,11H2,1-2H3,(H2,19,20,22)/t12-/m0/s1.
What are the key properties of 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea?
1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea has a molecular weight of 331.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 95981174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).