(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid

C19H22F3N3O5 — CID 146264526

IUPAC(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@@H](N)C(=O)Nc1cccc(Oc2ccc(C)c(OC)c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O3.C2HF3O2/c1-4-13(18)17(21)20-15-6-5-7-16(19-15)23-12-9-8-11(2)14(10-12)22-3;3-2(4,5)1(6)7/h5-10,13H,4,18H2,1-3H3,(H,19,20,21);(H,6,7)/t13-;/m1./s1
InChIKeyXWMWDQLXRVLFFL-BTQNPOSSSA-N
MW429.40 g/mol
LogP3.50
Rot. Bonds6

About (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid

(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid (PubChem CID 146264526) has the molecular formula C19H22F3N3O5 and a molecular weight of 429.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid
PubChem CID146264526
Molecular FormulaC19H22F3N3O5
Molecular Weight429.40 g/mol
Exact Mass429.15
IUPAC Name(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@@H](N)C(=O)Nc1cccc(Oc2ccc(C)c(OC)c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O3.C2HF3O2/c1-4-13(18)17(21)20-15-6-5-7-16(19-15)23-12-9-8-11(2)14(10-12)22-3;3-2(4,5)1(6)7/h5-10,13H,4,18H2,1-3H3,(H,19,20,21);(H,6,7)/t13-;/m1./s1
InChIKeyXWMWDQLXRVLFFL-BTQNPOSSSA-N
XLogP3.50
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(2R)-2-amino-1-[[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]amino]-1-oxobutan-2-yl] 2,2,2-trifluoroacetate
CID 162769495
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
CID 146264472
(2R)-2-amino-N-[6-(2-phenylphenoxy)-2-pyridinyl]butanamide
CID 146264478
2-amino-N-[4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]acetamide
CID 146290688
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
tert-butyl N-[1-[[4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 146289834
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
(2S)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylbutanamide
CID 67235584
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid (CID 146264526) is (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid is CC[C@@H](N)C(=O)Nc1cccc(Oc2ccc(C)c(OC)c2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is XWMWDQLXRVLFFL-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H21N3O3.C2HF3O2/c1-4-13(18)17(21)20-15-6-5-7-16(19-15)23-12-9-8-11(2)14(10-12)22-3;3-2(4,5)1(6)7/h5-10,13H,4,18H2,1-3H3,(H,19,20,21);(H,6,7)/t13-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid?
(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 429.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146264526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).