1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea

C14H13F2N3O — CID 47258349

IUPAC1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13F2N3O/c1-9-3-2-4-11(18-9)8-17-14(20)19-10-5-6-12(15)13(16)7-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyFOFZQQJZOBDSHF-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea

1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 47258349) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID47258349
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13F2N3O/c1-9-3-2-4-11(18-9)8-17-14(20)19-10-5-6-12(15)13(16)7-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyFOFZQQJZOBDSHF-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
1-(4-ethynyl-2,6-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75435269
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 47258349) is 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is FOFZQQJZOBDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-9-3-2-4-11(18-9)8-17-14(20)19-10-5-6-12(15)13(16)7-10/h2-7H,8H2,1H3,(H2,17,19,20).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 277.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 47258349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).