N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

C22H24N4O2 — CID 22747548

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESCOc1ccc(N(Cc2cccnc2)c2cnccn2)cc1OC1CCCC1
InChIInChI=1S/C22H24N4O2/c1-27-20-9-8-18(13-21(20)28-19-6-2-3-7-19)26(22-15-24-11-12-25-22)16-17-5-4-10-23-14-17/h4-5,8-15,19H,2-3,6-7,16H2,1H3
InChIKeyOSDULLSJTOHGJJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.54
Rot. Bonds7

About N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (PubChem CID 22747548) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
PubChem CID22747548
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESCOc1ccc(N(Cc2cccnc2)c2cnccn2)cc1OC1CCCC1
InChIInChI=1S/C22H24N4O2/c1-27-20-9-8-18(13-21(20)28-19-6-2-3-7-19)26(22-15-24-11-12-25-22)16-17-5-4-10-23-14-17/h4-5,8-15,19H,2-3,6-7,16H2,1H3
InChIKeyOSDULLSJTOHGJJ-UHFFFAOYSA-N
XLogP4.54
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
N-(3-chloro-4-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 10224353
3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline
CID 10279152
3-cyclopentyloxy-4-methoxy-N-[4-(oxolan-2-yloxy)phenyl]-N-(pyridin-3-ylmethyl)aniline
CID 22747709
(2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 44603330
3-[3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 75078942
(2R)-3-[3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 44603331
3-cyclopentyloxy-4-methoxy-N-phenyl-N-(pyrazin-2-ylmethyl)aniline
CID 22747608
tert-butyl 4-[3-cyclohexyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 91138588
tert-butyl 3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 10457620
3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 22747558
N-[2-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]ethyl]butane-1-sulfonamide
CID 10166259

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (CID 22747548) is N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is COc1ccc(N(Cc2cccnc2)c2cnccn2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is OSDULLSJTOHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-27-20-9-8-18(13-21(20)28-19-6-2-3-7-19)26(22-15-24-11-12-25-22)16-17-5-4-10-23-14-17/h4-5,8-15,19H,2-3,6-7,16H2,1H3.
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 22747548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).