(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide

C17H21N3O3 — CID 146264472

IUPAC(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
SMILESCC[C@@H](N)C(=O)Nc1cc(Oc2ccc(C)c(OC)c2)ccn1
InChIInChI=1S/C17H21N3O3/c1-4-14(18)17(21)20-16-10-13(7-8-19-16)23-12-6-5-11(2)15(9-12)22-3/h5-10,14H,4,18H2,1-3H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQJXDWMBMDVVWFO-CQSZACIVSA-N
MW315.37 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide

(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide (PubChem CID 146264472) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
PubChem CID146264472
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
SMILESCC[C@@H](N)C(=O)Nc1cc(Oc2ccc(C)c(OC)c2)ccn1
InChIInChI=1S/C17H21N3O3/c1-4-14(18)17(21)20-16-10-13(7-8-19-16)23-12-6-5-11(2)15(9-12)22-3/h5-10,14H,4,18H2,1-3H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQJXDWMBMDVVWFO-CQSZACIVSA-N
XLogP2.87
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid
CID 146264526
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
2-amino-N-[4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]acetamide
CID 146290688
ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586262
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamic acid;hydrochloride
CID 163210137
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide
CID 70976319
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
CID 77479086
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
CID 119868833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide (CID 146264472) is (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide is CC[C@@H](N)C(=O)Nc1cc(Oc2ccc(C)c(OC)c2)ccn1.
What is the InChIKey of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide?
The InChIKey is QJXDWMBMDVVWFO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-14(18)17(21)20-16-10-13(7-8-19-16)23-12-6-5-11(2)15(9-12)22-3/h5-10,14H,4,18H2,1-3H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide?
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide has a molecular weight of 315.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide is sourced from PubChem (CID 146264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).