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

C16H19N3O — CID 47267033

IUPAC1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
SMILESCCN(Cc1ccccc1C)C(=O)Nc1ccccn1
InChIInChI=1S/C16H19N3O/c1-3-19(12-14-9-5-4-8-13(14)2)16(20)18-15-10-6-7-11-17-15/h4-11H,3,12H2,1-2H3,(H,17,18,20)
InChIKeyILYVEDUPAQNFOE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.44
Rot. Bonds4

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

1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea (PubChem CID 47267033) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
PubChem CID47267033
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
SMILESCCN(Cc1ccccc1C)C(=O)Nc1ccccn1
InChIInChI=1S/C16H19N3O/c1-3-19(12-14-9-5-4-8-13(14)2)16(20)18-15-10-6-7-11-17-15/h4-11H,3,12H2,1-2H3,(H,17,18,20)
InChIKeyILYVEDUPAQNFOE-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
CID 138054522
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CID 131880299
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
CID 110634646

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea (CID 47267033) is 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea is CCN(Cc1ccccc1C)C(=O)Nc1ccccn1.
What is the InChIKey of 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea?
The InChIKey is ILYVEDUPAQNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(12-14-9-5-4-8-13(14)2)16(20)18-15-10-6-7-11-17-15/h4-11H,3,12H2,1-2H3,(H,17,18,20).
What are the key properties of 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea?
1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea has a molecular weight of 269.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 47267033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).