2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride

C18H25Cl2N3O2 — CID 119848997

IUPAC2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1cccnc1Oc1cccc(C)c1C.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-4-7-14(19)17(22)21-15-9-6-11-20-18(15)23-16-10-5-8-12(2)13(16)3;;/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22);2*1H
InChIKeyKXZHSHHYFNIJPW-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.40
Rot. Bonds6

About 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride

2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride (PubChem CID 119848997) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
PubChem CID119848997
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1cccnc1Oc1cccc(C)c1C.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-4-7-14(19)17(22)21-15-9-6-11-20-18(15)23-16-10-5-8-12(2)13(16)3;;/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22);2*1H
InChIKeyKXZHSHHYFNIJPW-UHFFFAOYSA-N
XLogP4.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride (CID 119848997) is 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride is CCCC(N)C(=O)Nc1cccnc1Oc1cccc(C)c1C.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride?
The InChIKey is KXZHSHHYFNIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-4-7-14(19)17(22)21-15-9-6-11-20-18(15)23-16-10-5-8-12(2)13(16)3;;/h5-6,8-11,14H,4,7,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride?
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119848997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).