4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide

C15H17N3O2 — CID 107207961

IUPAC4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C15H17N3O2/c1-10(11-5-7-17-8-6-11)18-15(19)13-4-3-12(16)9-14(13)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyHKQAXRKGRZQZKC-JTQLQIEISA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide

4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide (PubChem CID 107207961) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
PubChem CID107207961
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C15H17N3O2/c1-10(11-5-7-17-8-6-11)18-15(19)13-4-3-12(16)9-14(13)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyHKQAXRKGRZQZKC-JTQLQIEISA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 78775630

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide (CID 107207961) is 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide is COc1cc(N)ccc1C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is HKQAXRKGRZQZKC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(11-5-7-17-8-6-11)18-15(19)13-4-3-12(16)9-14(13)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 107207961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).