(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide

C16H19N3O2 — CID 95767486

IUPAC(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide
SMILESCC[C@H](Nc1ccc(OCc2cccnc2)cc1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-2-15(16(17)20)19-13-5-7-14(8-6-13)21-11-12-4-3-9-18-10-12/h3-10,15,19H,2,11H2,1H3,(H2,17,20)/t15-/m0/s1
InChIKeyQRLKGDAPURBLRB-HNNXBMFYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds7

About (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide

(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide (PubChem CID 95767486) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide
PubChem CID95767486
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide
SMILESCC[C@H](Nc1ccc(OCc2cccnc2)cc1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-2-15(16(17)20)19-13-5-7-14(8-6-13)21-11-12-4-3-9-18-10-12/h3-10,15,19H,2,11H2,1H3,(H2,17,20)/t15-/m0/s1
InChIKeyQRLKGDAPURBLRB-HNNXBMFYSA-N
XLogP2.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide
CID 96531356
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906
[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(4-acetamidophenyl)sulfanylpropanoate
CID 166205317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide?
The IUPAC name of (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide (CID 95767486) is (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide.
What is the SMILES notation for (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide?
The canonical SMILES for (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide is CC[C@H](Nc1ccc(OCc2cccnc2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide?
The InChIKey is QRLKGDAPURBLRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-15(16(17)20)19-13-5-7-14(8-6-13)21-11-12-4-3-9-18-10-12/h3-10,15,19H,2,11H2,1H3,(H2,17,20)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide?
(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide is sourced from PubChem (CID 95767486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).