1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C17H23N5O — CID 75432489

IUPAC1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccncc2C)c(N(C)C)n1
InChIInChI=1S/C17H23N5O/c1-12-11-18-9-7-14(12)8-10-19-17(23)21-15-6-5-13(2)20-16(15)22(3)4/h5-7,9,11H,8,10H2,1-4H3,(H2,19,21,23)
InChIKeyXEALJFXQEPBRHG-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 75432489) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID75432489
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccncc2C)c(N(C)C)n1
InChIInChI=1S/C17H23N5O/c1-12-11-18-9-7-14(12)8-10-19-17(23)21-15-6-5-13(2)20-16(15)22(3)4/h5-7,9,11H,8,10H2,1-4H3,(H2,19,21,23)
InChIKeyXEALJFXQEPBRHG-UHFFFAOYSA-N
XLogP2.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 75432489) is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1ccc(NC(=O)NCCc2ccncc2C)c(N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is XEALJFXQEPBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-11-18-9-7-14(12)8-10-19-17(23)21-15-6-5-13(2)20-16(15)22(3)4/h5-7,9,11H,8,10H2,1-4H3,(H2,19,21,23).
What are the key properties of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 313.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 75432489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).