1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea

C14H15N3O2 — CID 75444052

IUPAC1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2cccc(=O)[nH]2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)17-14(19)15-9-12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyHEIRJAXMQVHTDV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.01
Rot. Bonds3

About 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea

1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea (PubChem CID 75444052) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea
PubChem CID75444052
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2cccc(=O)[nH]2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)17-14(19)15-9-12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyHEIRJAXMQVHTDV-UHFFFAOYSA-N
XLogP2.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
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1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
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1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea (CID 75444052) is 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea is Cc1cccc(NC(=O)NCc2cccc(=O)[nH]2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The InChIKey is HEIRJAXMQVHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)17-14(19)15-9-12-6-3-7-13(18)16-12/h2-8H,9H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea has a molecular weight of 257.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea is sourced from PubChem (CID 75444052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).