ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate

C17H20N4O3 — CID 2341879

IUPACethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C
InChIInChI=1S/C17H20N4O3/c1-5-24-16(22)13-9-14(12(4)19-11(13)3)20-17(23)21-15-8-10(2)6-7-18-15/h6-9H,5H2,1-4H3,(H2,18,20,21,23)
InChIKeyVKYLFKYDUIWXMG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.22
Rot. Bonds4

About ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate (PubChem CID 2341879) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate
PubChem CID2341879
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C
InChIInChI=1S/C17H20N4O3/c1-5-24-16(22)13-9-14(12(4)19-11(13)3)20-17(23)21-15-8-10(2)6-7-18-15/h6-9H,5H2,1-4H3,(H2,18,20,21,23)
InChIKeyVKYLFKYDUIWXMG-UHFFFAOYSA-N
XLogP3.22
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate (CID 2341879) is ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate?
The InChIKey is VKYLFKYDUIWXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-5-24-16(22)13-9-14(12(4)19-11(13)3)20-17(23)21-15-8-10(2)6-7-18-15/h6-9H,5H2,1-4H3,(H2,18,20,21,23).
What are the key properties of ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-[(4-methyl-2-pyridinyl)carbamoylamino]pyridine-3-carboxylate is sourced from PubChem (CID 2341879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).