4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide

C12H19N3O3 — CID 171489497

IUPAC4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(CNCCOC)cn1
InChIInChI=1S/C12H19N3O3/c1-13-12(16)10-6-11(18-3)9(8-15-10)7-14-4-5-17-2/h6,8,14H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyKKIAQABTIAQREV-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.19
Rot. Bonds7

About 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide

4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 171489497) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
PubChem CID171489497
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(CNCCOC)cn1
InChIInChI=1S/C12H19N3O3/c1-13-12(16)10-6-11(18-3)9(8-15-10)7-14-4-5-17-2/h6,8,14H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyKKIAQABTIAQREV-UHFFFAOYSA-N
XLogP0.19
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
CID 171489496
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 153331952
5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
CID 153331814
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
5-(bromomethyl)-N-(1-cyanocyclopropyl)-4-methoxypyridine-2-carboxamide
CID 166088133
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide (CID 171489497) is 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(OC)c(CNCCOC)cn1.
What is the InChIKey of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is KKIAQABTIAQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-12(16)10-6-11(18-3)9(8-15-10)7-14-4-5-17-2/h6,8,14H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide?
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171489497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).