2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine

C15H17F2N3O — CID 62229237

IUPAC2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C15H17F2N3O/c1-2-7-21-15-13(18)5-6-14(20-15)19-9-10-3-4-11(16)8-12(10)17/h3-6,8H,2,7,9,18H2,1H3,(H,19,20)
InChIKeyVGQKWGZVYIHACW-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.34
Rot. Bonds6

About 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine

2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine (PubChem CID 62229237) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
PubChem CID62229237
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C15H17F2N3O/c1-2-7-21-15-13(18)5-6-14(20-15)19-9-10-3-4-11(16)8-12(10)17/h3-6,8H,2,7,9,18H2,1H3,(H,19,20)
InChIKeyVGQKWGZVYIHACW-UHFFFAOYSA-N
XLogP3.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 83072874
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79224387
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine (CID 62229237) is 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCc2ccc(F)cc2F)ccc1N.
What is the InChIKey of 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is VGQKWGZVYIHACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-7-21-15-13(18)5-6-14(20-15)19-9-10-3-4-11(16)8-12(10)17/h3-6,8H,2,7,9,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine?
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 293.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 62229237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).