2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride

C17H23Cl2N3O2 — CID 119849169

IUPAC2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Oc2ccccc2)nc1.Cl.Cl
InChIInChI=1S/C17H21N3O2.2ClH/c1-3-12(2)16(18)17(21)20-13-9-10-15(19-11-13)22-14-7-5-4-6-8-14;;/h4-12,16H,3,18H2,1-2H3,(H,20,21);2*1H
InChIKeySGIZLYKYRJRQOL-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.03
Rot. Bonds6

About 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride

2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride (PubChem CID 119849169) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
PubChem CID119849169
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Oc2ccccc2)nc1.Cl.Cl
InChIInChI=1S/C17H21N3O2.2ClH/c1-3-12(2)16(18)17(21)20-13-9-10-15(19-11-13)22-14-7-5-4-6-8-14;;/h4-12,16H,3,18H2,1-2H3,(H,20,21);2*1H
InChIKeySGIZLYKYRJRQOL-UHFFFAOYSA-N
XLogP4.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
CID 119872275
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride (CID 119849169) is 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride is CCC(C)C(N)C(=O)Nc1ccc(Oc2ccccc2)nc1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride?
The InChIKey is SGIZLYKYRJRQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.2ClH/c1-3-12(2)16(18)17(21)20-13-9-10-15(19-11-13)22-14-7-5-4-6-8-14;;/h4-12,16H,3,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride?
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119849169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).