1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride

C18H23Cl2N3O2 — CID 119864481

IUPAC1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1Oc1cccnc1.Cl.Cl
InChIInChI=1S/C18H21N3O2.2ClH/c1-13-11-14(21-17(22)18(19)8-2-3-9-18)6-7-16(13)23-15-5-4-10-20-12-15;;/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,21,22);2*1H
InChIKeyNAVZRWLMHSNSOW-UHFFFAOYSA-N
MW384.31 g/mol
LogP4.24
Rot. Bonds4

About 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119864481) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119864481
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1Oc1cccnc1.Cl.Cl
InChIInChI=1S/C18H21N3O2.2ClH/c1-13-11-14(21-17(22)18(19)8-2-3-9-18)6-7-16(13)23-15-5-4-10-20-12-15;;/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,21,22);2*1H
InChIKeyNAVZRWLMHSNSOW-UHFFFAOYSA-N
XLogP4.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119287655
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119864481) is 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride is Cc1cc(NC(=O)C2(N)CCCC2)ccc1Oc1cccnc1.Cl.Cl.
What is the InChIKey of 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is NAVZRWLMHSNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.2ClH/c1-13-11-14(21-17(22)18(19)8-2-3-9-18)6-7-16(13)23-15-5-4-10-20-12-15;;/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,21,22);2*1H.
What are the key properties of 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).