ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate

C16H19N3O3 — CID 167923231

IUPACethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCc2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O3/c1-4-22-16(21)12-5-6-17-14(8-12)18-9-13-10(2)7-11(3)19-15(13)20/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQXQRXRJSNYQOTD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.18
Rot. Bonds5

About ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate

ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate (PubChem CID 167923231) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate
PubChem CID167923231
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCc2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O3/c1-4-22-16(21)12-5-6-17-14(8-12)18-9-13-10(2)7-11(3)19-15(13)20/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQXQRXRJSNYQOTD-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133345531
2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-methylpyridine-3-carboxamide
CID 133345555
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 41416693
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate (CID 167923231) is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NCc2c(C)cc(C)[nH]c2=O)c1.
What is the InChIKey of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate?
The InChIKey is QXQRXRJSNYQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-22-16(21)12-5-6-17-14(8-12)18-9-13-10(2)7-11(3)19-15(13)20/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate?
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 167923231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).