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

C15H17N3O2 — CID 107207958

IUPAC4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C15H17N3O2/c1-10(13-5-3-4-8-17-13)18-15(19)12-7-6-11(16)9-14(12)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyWIBFQBZDLNYRKP-SNVBAGLBSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds4

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

4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 107207958) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID107207958
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C15H17N3O2/c1-10(13-5-3-4-8-17-13)18-15(19)12-7-6-11(16)9-14(12)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyWIBFQBZDLNYRKP-SNVBAGLBSA-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-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
3-methoxy-4-(2-methylpropoxy)-N-(1-pyridin-2-ylethyl)benzamide
CID 112758953

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 107207958) is 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide is COc1cc(N)ccc1C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is WIBFQBZDLNYRKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(13-5-3-4-8-17-13)18-15(19)12-7-6-11(16)9-14(12)20-2/h3-10H,16H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-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-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 107207958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).