1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea

C17H15N3O — CID 832770

IUPAC1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea
SMILESCc1cccnc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-6-5-11-18-16(12)20-17(21)19-15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyLENQREFITAECTR-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.19
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea

1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea (PubChem CID 832770) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea
PubChem CID832770
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea
SMILESCc1cccnc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-6-5-11-18-16(12)20-17(21)19-15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyLENQREFITAECTR-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea (CID 832770) is 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea is Cc1cccnc1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea?
The InChIKey is LENQREFITAECTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-5-11-18-16(12)20-17(21)19-15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea?
1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea has a molecular weight of 277.33 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 832770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).