1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea

C16H19N3O3 — CID 94734823

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)N[C@@H](C)CO)cn2)cc1
InChIInChI=1S/C16H19N3O3/c1-11-3-6-14(7-4-11)22-15-8-5-13(9-17-15)19-16(21)18-12(2)10-20/h3-9,12,20H,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRFEJZRQNSCKHAU-LBPRGKRZSA-N
MW301.35 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea

1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea (PubChem CID 94734823) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
PubChem CID94734823
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)N[C@@H](C)CO)cn2)cc1
InChIInChI=1S/C16H19N3O3/c1-11-3-6-14(7-4-11)22-15-8-5-13(9-17-15)19-16(21)18-12(2)10-20/h3-9,12,20H,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRFEJZRQNSCKHAU-LBPRGKRZSA-N
XLogP2.68
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947726
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
CID 154845228
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea (CID 94734823) is 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea is Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)CO)cn2)cc1.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The InChIKey is RFEJZRQNSCKHAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-3-6-14(7-4-11)22-15-8-5-13(9-17-15)19-16(21)18-12(2)10-20/h3-9,12,20H,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 94734823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).