1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea

C18H23N3O2 — CID 71660058

IUPAC1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
SMILESCCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C18H23N3O2/c1-4-5-11-21-14(3)13(2)12-16(17(21)22)20-18(23)19-15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H2,19,20,23)
InChIKeyMWDDWMBCCKCMRL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.91
Rot. Bonds5

About 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea

1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea (PubChem CID 71660058) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
PubChem CID71660058
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
SMILESCCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C18H23N3O2/c1-4-5-11-21-14(3)13(2)12-16(17(21)22)20-18(23)19-15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H2,19,20,23)
InChIKeyMWDDWMBCCKCMRL-UHFFFAOYSA-N
XLogP3.91
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea
CID 22266501
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-methoxybenzamide
CID 23587986
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
CID 23587977
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
2-[6-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 87050622
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190
1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea
CID 19012416
1-butoxy-3-phenylurea
CID 4061845
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 46668535
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea (CID 71660058) is 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea is CCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2)c1=O.
What is the InChIKey of 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea?
The InChIKey is MWDDWMBCCKCMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-5-11-21-14(3)13(2)12-16(17(21)22)20-18(23)19-15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea?
1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea has a molecular weight of 313.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea is sourced from PubChem (CID 71660058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).