1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea

C19H17FN4O2 — CID 56678997

IUPAC1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(-c3cccnc3F)ccn2)cc1
InChIInChI=1S/C19H17FN4O2/c1-26-15-6-4-13(5-7-15)12-23-19(25)24-17-11-14(8-10-21-17)16-3-2-9-22-18(16)20/h2-11H,12H2,1H3,(H2,21,23,24,25)
InChIKeyZFZCIMAPWRORMH-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea

1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 56678997) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID56678997
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(-c3cccnc3F)ccn2)cc1
InChIInChI=1S/C19H17FN4O2/c1-26-15-6-4-13(5-7-15)12-23-19(25)24-17-11-14(8-10-21-17)16-3-2-9-22-18(16)20/h2-11H,12H2,1H3,(H2,21,23,24,25)
InChIKeyZFZCIMAPWRORMH-UHFFFAOYSA-N
XLogP3.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyrilamine
CID 4992
Enitociclib
CID 139593425
Pyrilamine hydrochloride
CID 80139
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 28
CID 118429921
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
CID 920769
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea (CID 56678997) is 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cc(-c3cccnc3F)ccn2)cc1.
What is the InChIKey of 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is ZFZCIMAPWRORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-15-6-4-13(5-7-15)12-23-19(25)24-17-11-14(8-10-21-17)16-3-2-9-22-18(16)20/h2-11H,12H2,1H3,(H2,21,23,24,25).
What are the key properties of 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 352.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 56678997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).