1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine

C21H22F2N4O — CID 42197705

IUPAC1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
SMILESCc1ccc(Oc2ncccc2CNCc2nc(C)c(C)nc2C)c(F)c1F
InChIInChI=1S/C21H22F2N4O/c1-12-7-8-18(20(23)19(12)22)28-21-16(6-5-9-25-21)10-24-11-17-15(4)26-13(2)14(3)27-17/h5-9,24H,10-11H2,1-4H3
InChIKeyNPCFZTKKOVQWCX-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.47
Rot. Bonds6

About 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine

1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine (PubChem CID 42197705) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
PubChem CID42197705
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
SMILESCc1ccc(Oc2ncccc2CNCc2nc(C)c(C)nc2C)c(F)c1F
InChIInChI=1S/C21H22F2N4O/c1-12-7-8-18(20(23)19(12)22)28-21-16(6-5-9-25-21)10-24-11-17-15(4)26-13(2)14(3)27-17/h5-9,24H,10-11H2,1-4H3
InChIKeyNPCFZTKKOVQWCX-UHFFFAOYSA-N
XLogP4.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 45223637
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56742548
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 42519423
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64854495
N-[(2-naphthalen-1-yloxy-3-pyridinyl)methyl]ethanamine
CID 62322003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine (CID 42197705) is 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine is Cc1ccc(Oc2ncccc2CNCc2nc(C)c(C)nc2C)c(F)c1F.
What is the InChIKey of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine?
The InChIKey is NPCFZTKKOVQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-12-7-8-18(20(23)19(12)22)28-21-16(6-5-9-25-21)10-24-11-17-15(4)26-13(2)14(3)27-17/h5-9,24H,10-11H2,1-4H3.
What are the key properties of 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine?
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine has a molecular weight of 384.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 42197705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).