2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride

C18H20Cl2F3N3O2 — CID 119878541

IUPAC2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-3-6-15(7-4-13)26-17-8-5-14(10-23-17)24-16(25)11-22-9-12-1-2-12;;/h3-8,10,12,22H,1-2,9,11H2,(H,24,25);2*1H
InChIKeyLDSGOWUDYCUCSR-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.67
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride (PubChem CID 119878541) has the molecular formula C18H20Cl2F3N3O2 and a molecular weight of 438.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
PubChem CID119878541
Molecular FormulaC18H20Cl2F3N3O2
Molecular Weight438.28 g/mol
Exact Mass437.09
IUPAC Name2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-3-6-15(7-4-13)26-17-8-5-14(10-23-17)24-16(25)11-22-9-12-1-2-12;;/h3-8,10,12,22H,1-2,9,11H2,(H,24,25);2*1H
InChIKeyLDSGOWUDYCUCSR-UHFFFAOYSA-N
XLogP4.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
CID 119858054
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(hydroxymethyl)piperidine-1-carboxylate
CID 23636024

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride (CID 119878541) is 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride?
The InChIKey is LDSGOWUDYCUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2.2ClH/c19-18(20,21)13-3-6-15(7-4-13)26-17-8-5-14(10-23-17)24-16(25)11-22-9-12-1-2-12;;/h3-8,10,12,22H,1-2,9,11H2,(H,24,25);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride has a molecular weight of 438.28 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride is sourced from PubChem (CID 119878541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).