methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate

C18H19N3O4 — CID 11152005

IUPACmethyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)N(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-20(12-15(22)21(2)13-8-5-4-6-9-13)17(23)16-14(18(24)25-3)10-7-11-19-16/h4-11H,12H2,1-3H3
InChIKeyVLWSEAIHJRICPI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate

methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 11152005) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
PubChem CID11152005
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)N(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-20(12-15(22)21(2)13-8-5-4-6-9-13)17(23)16-14(18(24)25-3)10-7-11-19-16/h4-11H,12H2,1-3H3
InChIKeyVLWSEAIHJRICPI-UHFFFAOYSA-N
XLogP1.60
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
CID 102350868
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
3-benzoyl-N-(2,2-dimethoxyethyl)-N-methylpyridine-2-carboxamide
CID 10314425
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
methyl 2-(3-oxopropanoyl)pyridine-3-carboxylate
CID 57318623
2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 79269179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate (CID 11152005) is methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1cccnc1C(=O)N(C)CC(=O)N(C)c1ccccc1.
What is the InChIKey of methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is VLWSEAIHJRICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20(12-15(22)21(2)13-8-5-4-6-9-13)17(23)16-14(18(24)25-3)10-7-11-19-16/h4-11H,12H2,1-3H3.
What are the key properties of methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate?
methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 11152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).