1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride

C18H20Cl2F3N3O2 — CID 119878537

IUPAC1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CCCC1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)12-3-6-14(7-4-12)26-15-8-5-13(11-23-15)24-16(25)17(22)9-1-2-10-17;;/h3-8,11H,1-2,9-10,22H2,(H,24,25);2*1H
InChIKeyABACOGWPNNGCDV-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.95
Rot. Bonds4

About 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119878537) has the molecular formula C18H20Cl2F3N3O2 and a molecular weight of 438.28 g/mol. Its IUPAC name is 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119878537
Molecular FormulaC18H20Cl2F3N3O2
Molecular Weight438.28 g/mol
Exact Mass437.09
IUPAC Name1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CCCC1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)12-3-6-14(7-4-12)26-15-8-5-13(11-23-15)24-16(25)17(22)9-1-2-10-17;;/h3-8,11H,1-2,9-10,22H2,(H,24,25);2*1H
InChIKeyABACOGWPNNGCDV-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119878537) is 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CCCC1.
What is the InChIKey of 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ABACOGWPNNGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)12-3-6-14(7-4-12)26-15-8-5-13(11-23-15)24-16(25)17(22)9-1-2-10-17;;/h3-8,11H,1-2,9-10,22H2,(H,24,25);2*1H.
What are the key properties of 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 438.28 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).