1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea

C16H19N3O2 — CID 18101625

IUPAC1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
SMILESCc1cccc(OCCN(C)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c1-13-5-3-7-15(11-13)21-10-9-19(2)16(20)18-14-6-4-8-17-12-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)
InChIKeyBBMIIMMCNVZWMH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.93
Rot. Bonds5

About 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea

1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea (PubChem CID 18101625) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
PubChem CID18101625
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
SMILESCc1cccc(OCCN(C)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c1-13-5-3-7-15(11-13)21-10-9-19(2)16(20)18-14-6-4-8-17-12-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)
InChIKeyBBMIIMMCNVZWMH-UHFFFAOYSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide
CID 4621915
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea (CID 18101625) is 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea is Cc1cccc(OCCN(C)C(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea?
The InChIKey is BBMIIMMCNVZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-5-3-7-15(11-13)21-10-9-19(2)16(20)18-14-6-4-8-17-12-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea?
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea has a molecular weight of 285.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 18101625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).