(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine

C12H13N3O — CID 122688967

IUPAC(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine
SMILESCOc1cc(C(N)c2cccnc2)ccn1
InChIInChI=1S/C12H13N3O/c1-16-11-7-9(4-6-15-11)12(13)10-3-2-5-14-8-10/h2-8,12H,13H2,1H3
InChIKeyWMEBEFBANAGWAT-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.53
Rot. Bonds3

About (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine

(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine (PubChem CID 122688967) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine
PubChem CID122688967
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine
SMILESCOc1cc(C(N)c2cccnc2)ccn1
InChIInChI=1S/C12H13N3O/c1-16-11-7-9(4-6-15-11)12(13)10-3-2-5-14-8-10/h2-8,12H,13H2,1H3
InChIKeyWMEBEFBANAGWAT-UHFFFAOYSA-N
XLogP1.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
amino(pyridin-3-yl)methanethiol
CID 116939546
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine (CID 122688967) is (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine is COc1cc(C(N)c2cccnc2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine?
The InChIKey is WMEBEFBANAGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-7-9(4-6-15-11)12(13)10-3-2-5-14-8-10/h2-8,12H,13H2,1H3.
What are the key properties of (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine?
(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine has a molecular weight of 215.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 122688967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).