1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

C16H20N4O2 — CID 51084613

IUPAC1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1cccnc1NC(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C16H20N4O2/c1-11(2)22-15-13(7-5-9-18-15)10-19-16(21)20-14-12(3)6-4-8-17-14/h4-9,11H,10H2,1-3H3,(H2,17,19,20,21)
InChIKeyXBEXOZVXDOVDEB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.89
Rot. Bonds5

About 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 51084613) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID51084613
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1cccnc1NC(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C16H20N4O2/c1-11(2)22-15-13(7-5-9-18-15)10-19-16(21)20-14-12(3)6-4-8-17-14/h4-9,11H,10H2,1-3H3,(H2,17,19,20,21)
InChIKeyXBEXOZVXDOVDEB-UHFFFAOYSA-N
XLogP2.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 51084613) is 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is Cc1cccnc1NC(=O)NCc1cccnc1OC(C)C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is XBEXOZVXDOVDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)22-15-13(7-5-9-18-15)10-19-16(21)20-14-12(3)6-4-8-17-14/h4-9,11H,10H2,1-3H3,(H2,17,19,20,21).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51084613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).