1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea

C16H19N3O3 — CID 95121864

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3/c1-12(11-21-2)18-16(20)19-13-3-5-14(6-4-13)22-15-7-9-17-10-8-15/h3-10,12H,11H2,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyRRVNMIFFFIPLKI-LBPRGKRZSA-N
MW301.35 g/mol
LogP3.03
Rot. Bonds6

About 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea

1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 95121864) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID95121864
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOC[C@H](C)NC(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3/c1-12(11-21-2)18-16(20)19-13-3-5-14(6-4-13)22-15-7-9-17-10-8-15/h3-10,12H,11H2,1-2H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyRRVNMIFFFIPLKI-LBPRGKRZSA-N
XLogP3.03
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86943708
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 99619776
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 96518172

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea (CID 95121864) is 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea is COC[C@H](C)NC(=O)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is RRVNMIFFFIPLKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(11-21-2)18-16(20)19-13-3-5-14(6-4-13)22-15-7-9-17-10-8-15/h3-10,12H,11H2,1-2H3,(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 301.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 95121864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).