3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide

C18H20N2O4 — CID 10314425

IUPAC3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide
SMILESCOC(CN(C)C(=O)c1ncccc1C(=O)c1ccccc1)OC
InChIInChI=1S/C18H20N2O4/c1-20(12-15(23-2)24-3)18(22)16-14(10-7-11-19-16)17(21)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3
InChIKeyCRSTWQJTICWXCW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.00
Rot. Bonds7

About 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide

3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide (PubChem CID 10314425) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide
PubChem CID10314425
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide
SMILESCOC(CN(C)C(=O)c1ncccc1C(=O)c1ccccc1)OC
InChIInChI=1S/C18H20N2O4/c1-20(12-15(23-2)24-3)18(22)16-14(10-7-11-19-16)17(21)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3
InChIKeyCRSTWQJTICWXCW-UHFFFAOYSA-N
XLogP2.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
CID 11152005
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
CID 102350868
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
4-(chloromethyl)-N-(2,2-dimethoxyethyl)-N-methylbenzamide
CID 169090050
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
CID 18462479

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide (CID 10314425) is 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide is COC(CN(C)C(=O)c1ncccc1C(=O)c1ccccc1)OC.
What is the InChIKey of 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is CRSTWQJTICWXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(12-15(23-2)24-3)18(22)16-14(10-7-11-19-16)17(21)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3.
What are the key properties of 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide?
3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 10314425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).