6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H22N4O3 — CID 133345531

IUPAC6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1
InChIInChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJJDLDJILSXJGRC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds7

About 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 133345531) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID133345531
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1
InChIInChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
InChIKeyJJDLDJILSXJGRC-UHFFFAOYSA-N
XLogP1.38
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate
CID 167923231
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133447591
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 133345531) is 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NCc2c(C)cc(C)[nH]c2=O)nc1.
What is the InChIKey of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JJDLDJILSXJGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-12(2)21-17(23)14(11)10-20-15-5-4-13(9-19-15)16(22)18-6-7-24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 133345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).