3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

C16H19N3O2 — CID 67730824

IUPAC3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESNC(=O)CC(N)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O2/c17-14(10-16(18)20)9-12-1-3-15(4-2-12)21-11-13-5-7-19-8-6-13/h1-8,14H,9-11,17H2,(H2,18,20)
InChIKeyIAHKXSASJFRVIA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.41
Rot. Bonds7

About 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide

3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (PubChem CID 67730824) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
PubChem CID67730824
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESNC(=O)CC(N)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O2/c17-14(10-16(18)20)9-12-1-3-15(4-2-12)21-11-13-5-7-19-8-6-13/h1-8,14H,9-11,17H2,(H2,18,20)
InChIKeyIAHKXSASJFRVIA-UHFFFAOYSA-N
XLogP1.41
TPSA91.23 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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 66577943
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
CID 174299048
tert-butyl 4-amino-4-oxo-2-[(4-phenylmethoxyphenyl)methyl]butanoate
CID 174406186
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
CID 119911946
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide (CID 67730824) is 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is NC(=O)CC(N)Cc1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
The InChIKey is IAHKXSASJFRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-14(10-16(18)20)9-12-1-3-15(4-2-12)21-11-13-5-7-19-8-6-13/h1-8,14H,9-11,17H2,(H2,18,20).
What are the key properties of 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide?
3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide has a molecular weight of 285.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 67730824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).