N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide

C16H19N3O3 — CID 123784740

IUPACN-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
SMILESCON(C)C(=O)c1ccc(NCOCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O3/c1-19(21-2)16(20)15-9-8-14(10-17-15)18-12-22-11-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyHKOTWYDOMFNLNV-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.30
Rot. Bonds7

About N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide

N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide (PubChem CID 123784740) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
PubChem CID123784740
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
SMILESCON(C)C(=O)c1ccc(NCOCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O3/c1-19(21-2)16(20)15-9-8-14(10-17-15)18-12-22-11-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyHKOTWYDOMFNLNV-UHFFFAOYSA-N
XLogP2.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
5-ethyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 23143535
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-(phenylmethoxymethyl)acetamide
CID 91608192
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584
[(E)-2-ethenylbut-2-enyl] N-[6-[methoxy(methyl)carbamoyl]-3-pyridinyl]carbamate
CID 144940825
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide (CID 123784740) is N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide is CON(C)C(=O)c1ccc(NCOCc2ccccc2)cn1.
What is the InChIKey of N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide?
The InChIKey is HKOTWYDOMFNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(21-2)16(20)15-9-8-14(10-17-15)18-12-22-11-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide?
N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 123784740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).