3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea

C16H19FN4O — CID 118764207

IUPAC3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea
SMILESCc1cccnc1CN(C(=O)Nc1cncc(F)c1)C(C)C
InChIInChI=1S/C16H19FN4O/c1-11(2)21(10-15-12(3)5-4-6-19-15)16(22)20-14-7-13(17)8-18-9-14/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyPNHBVMWSWHJKFM-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.37
Rot. Bonds4

About 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea

3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea (PubChem CID 118764207) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea
PubChem CID118764207
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea
SMILESCc1cccnc1CN(C(=O)Nc1cncc(F)c1)C(C)C
InChIInChI=1S/C16H19FN4O/c1-11(2)21(10-15-12(3)5-4-6-19-15)16(22)20-14-7-13(17)8-18-9-14/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyPNHBVMWSWHJKFM-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea (CID 118764207) is 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea is Cc1cccnc1CN(C(=O)Nc1cncc(F)c1)C(C)C.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea?
The InChIKey is PNHBVMWSWHJKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11(2)21(10-15-12(3)5-4-6-19-15)16(22)20-14-7-13(17)8-18-9-14/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea?
3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea has a molecular weight of 302.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 118764207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).