3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine

C16H13F2N3 — CID 167779053

IUPAC3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine
SMILESFc1cncc(F)c1NCCc1ccc2cnccc2c1
InChIInChI=1S/C16H13F2N3/c17-14-9-20-10-15(18)16(14)21-6-3-11-1-2-13-8-19-5-4-12(13)7-11/h1-2,4-5,7-10H,3,6H2,(H,20,21)
InChIKeyMFRXRMUKYXUYIM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.56
Rot. Bonds4

About 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine

3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine (PubChem CID 167779053) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine
PubChem CID167779053
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine
SMILESFc1cncc(F)c1NCCc1ccc2cnccc2c1
InChIInChI=1S/C16H13F2N3/c17-14-9-20-10-15(18)16(14)21-6-3-11-1-2-13-8-19-5-4-12(13)7-11/h1-2,4-5,7-10H,3,6H2,(H,20,21)
InChIKeyMFRXRMUKYXUYIM-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
CID 167960431
6-(2-bromoethyl)isoquinoline
CID 130757388
2,4,5-trifluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038325
3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine
CID 166360112
3,5-difluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037597
3,5-difluoro-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]pyridin-4-amine
CID 167816200
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
3-isoquinolin-7-ylpropan-1-amine
CID 82576497
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
2,4,5-trichloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037484
2-isoquinolin-6-ylacetic acid
CID 19098542

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine?
The IUPAC name of 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine (CID 167779053) is 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine?
The canonical SMILES for 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine is Fc1cncc(F)c1NCCc1ccc2cnccc2c1.
What is the InChIKey of 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine?
The InChIKey is MFRXRMUKYXUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-14-9-20-10-15(18)16(14)21-6-3-11-1-2-13-8-19-5-4-12(13)7-11/h1-2,4-5,7-10H,3,6H2,(H,20,21).
What are the key properties of 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine?
3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine has a molecular weight of 285.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine is sourced from PubChem (CID 167779053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).