2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride

C19H25Cl2N3O2 — CID 119849007

IUPAC2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
SMILESCc1cccc(Oc2ncccc2NC(=O)CNCC2CC2)c1C.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-13-5-3-7-17(14(13)2)24-19-16(6-4-10-21-19)22-18(23)12-20-11-15-8-9-15;;/h3-7,10,15,20H,8-9,11-12H2,1-2H3,(H,22,23);2*1H
InChIKeyPJQQBIODLMAQTL-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.27
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride (PubChem CID 119849007) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
PubChem CID119849007
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
SMILESCc1cccc(Oc2ncccc2NC(=O)CNCC2CC2)c1C.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-13-5-3-7-17(14(13)2)24-19-16(6-4-10-21-19)22-18(23)12-20-11-15-8-9-15;;/h3-7,10,15,20H,8-9,11-12H2,1-2H3,(H,22,23);2*1H
InChIKeyPJQQBIODLMAQTL-UHFFFAOYSA-N
XLogP4.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94629453
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 97007270
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
CID 119848997
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51121600
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 52690252
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride (CID 119849007) is 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride is Cc1cccc(Oc2ncccc2NC(=O)CNCC2CC2)c1C.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride?
The InChIKey is PJQQBIODLMAQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-13-5-3-7-17(14(13)2)24-19-16(6-4-10-21-19)22-18(23)12-20-11-15-8-9-15;;/h3-7,10,15,20H,8-9,11-12H2,1-2H3,(H,22,23);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride is sourced from PubChem (CID 119849007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).