5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C16H18N4O4 — CID 72895829

IUPAC5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccc(=O)n1CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C16H18N4O4/c1-10-3-2-4-14(21)19(10)6-5-15(22)20-8-12-11(17-9-18-12)7-13(20)16(23)24/h2-4,9,13H,5-8H2,1H3,(H,17,18)(H,23,24)
InChIKeyGLVOMLIAVUFCLQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.31
Rot. Bonds4

About 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72895829) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72895829
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccc(=O)n1CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C16H18N4O4/c1-10-3-2-4-14(21)19(10)6-5-15(22)20-8-12-11(17-9-18-12)7-13(20)16(23)24/h2-4,9,13H,5-8H2,1H3,(H,17,18)(H,23,24)
InChIKeyGLVOMLIAVUFCLQ-UHFFFAOYSA-N
XLogP0.31
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72895829) is 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cccc(=O)n1CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GLVOMLIAVUFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-3-2-4-14(21)19(10)6-5-15(22)20-8-12-11(17-9-18-12)7-13(20)16(23)24/h2-4,9,13H,5-8H2,1H3,(H,17,18)(H,23,24).
What are the key properties of 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72895829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).