2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C19H25Cl2N3O4 — CID 120801081

IUPAC2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCOc1ccc(Oc2ccc(NC(=O)C(N)C3CCOCC3)cn2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O4.2ClH/c1-24-15-3-5-16(6-4-15)26-17-7-2-14(12-21-17)22-19(23)18(20)13-8-10-25-11-9-13;;/h2-7,12-13,18H,8-11,20H2,1H3,(H,22,23);2*1H
InChIKeyOPFGARCVXQRKOZ-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.42
Rot. Bonds6

About 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120801081) has the molecular formula C19H25Cl2N3O4 and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120801081
Molecular FormulaC19H25Cl2N3O4
Molecular Weight430.33 g/mol
Exact Mass429.12
IUPAC Name2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCOc1ccc(Oc2ccc(NC(=O)C(N)C3CCOCC3)cn2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O4.2ClH/c1-24-15-3-5-16(6-4-15)26-17-7-2-14(12-21-17)22-19(23)18(20)13-8-10-25-11-9-13;;/h2-7,12-13,18H,8-11,20H2,1H3,(H,22,23);2*1H
InChIKeyOPFGARCVXQRKOZ-UHFFFAOYSA-N
XLogP3.42
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120801081) is 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride is COc1ccc(Oc2ccc(NC(=O)C(N)C3CCOCC3)cn2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is OPFGARCVXQRKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.2ClH/c1-24-15-3-5-16(6-4-15)26-17-7-2-14(12-21-17)22-19(23)18(20)13-8-10-25-11-9-13;;/h2-7,12-13,18H,8-11,20H2,1H3,(H,22,23);2*1H.
What are the key properties of 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 430.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).