(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine

C13H15N3O — CID 132588994

IUPAC(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine
SMILESCCOc1cnc(-c2ccncc2)cc1CN
InChIInChI=1S/C13H15N3O/c1-2-17-13-9-16-12(7-11(13)8-14)10-3-5-15-6-4-10/h3-7,9H,2,8,14H2,1H3
InChIKeyQHPVCZGGWQFEIF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds4

About (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine

(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine (PubChem CID 132588994) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine
PubChem CID132588994
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine
SMILESCCOc1cnc(-c2ccncc2)cc1CN
InChIInChI=1S/C13H15N3O/c1-2-17-13-9-16-12(7-11(13)8-14)10-3-5-15-6-4-10/h3-7,9H,2,8,14H2,1H3
InChIKeyQHPVCZGGWQFEIF-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethoxy-2-(2-fluorophenyl)-4-pyridinyl]methanamine
CID 132588900
[2-(3-fluorophenyl)-5-propoxy-4-pyridinyl]methanamine
CID 132588928
(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine
CID 132588869
[5-methoxy-2-(4-nitrophenyl)-4-pyridinyl]methanamine
CID 132589100
5-ethoxy-2-phenylpyridine-4-carbonitrile
CID 132588886
[5-ethoxy-2-(oxolan-2-yl)-4-pyridinyl]methanamine
CID 132589018
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
CID 118008565
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
4-(2-ethoxyphenyl)pyridine
CID 23466193
3-ethoxy-4-propylpyridine
CID 176934400
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine?
The IUPAC name of (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine (CID 132588994) is (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine.
What is the SMILES notation for (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine?
The canonical SMILES for (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine is CCOc1cnc(-c2ccncc2)cc1CN.
What is the InChIKey of (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine?
The InChIKey is QHPVCZGGWQFEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-17-13-9-16-12(7-11(13)8-14)10-3-5-15-6-4-10/h3-7,9H,2,8,14H2,1H3.
What are the key properties of (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine?
(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine has a molecular weight of 229.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 132588994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).