1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C19H25Cl2N3O3 — CID 119847608

IUPAC1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3(N)CCCC3)cn2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-24-15-5-4-6-16(11-15)25-17-8-7-14(12-21-17)13-22-18(23)19(20)9-2-3-10-19;;/h4-8,11-12H,2-3,9-10,13,20H2,1H3,(H,22,23);2*1H
InChIKeyUCYLNNAASMWWDN-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.61
Rot. Bonds6

About 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119847608) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119847608
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3(N)CCCC3)cn2)c1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-24-15-5-4-6-16(11-15)25-17-8-7-14(12-21-17)13-22-18(23)19(20)9-2-3-10-19;;/h4-8,11-12H,2-3,9-10,13,20H2,1H3,(H,22,23);2*1H
InChIKeyUCYLNNAASMWWDN-UHFFFAOYSA-N
XLogP3.61
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 55793737
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119847608) is 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is COc1cccc(Oc2ccc(CNC(=O)C3(N)CCCC3)cn2)c1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is UCYLNNAASMWWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.2ClH/c1-24-15-5-4-6-16(11-15)25-17-8-7-14(12-21-17)13-22-18(23)19(20)9-2-3-10-19;;/h4-8,11-12H,2-3,9-10,13,20H2,1H3,(H,22,23);2*1H.
What are the key properties of 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 414.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119847608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).