2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid

C18H19N3O4 — CID 167898652

IUPAC2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)NCc2ccc(C(=O)O)c(C3CC3)n2)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O4/c1-2-12-7-11(8-15(22)20-12)17(23)19-9-13-5-6-14(18(24)25)16(21-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyDTTSIGSYCHZKJT-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.84
Rot. Bonds6

About 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid

2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 167898652) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID167898652
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)NCc2ccc(C(=O)O)c(C3CC3)n2)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O4/c1-2-12-7-11(8-15(22)20-12)17(23)19-9-13-5-6-14(18(24)25)16(21-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyDTTSIGSYCHZKJT-UHFFFAOYSA-N
XLogP1.84
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid (CID 167898652) is 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid is CCc1cc(C(=O)NCc2ccc(C(=O)O)c(C3CC3)n2)cc(=O)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is DTTSIGSYCHZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-12-7-11(8-15(22)20-12)17(23)19-9-13-5-6-14(18(24)25)16(21-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid?
2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167898652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).