N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide

C17H20N4O4 — CID 3830993

IUPACN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1)c1ccncc1
InChIInChI=1S/C17H20N4O4/c22-12-8-14-16(24)20-6-3-11(7-13(20)17(25)21(14)9-12)19-15(23)10-1-4-18-5-2-10/h1-2,4-5,11-14,22H,3,6-9H2,(H,19,23)
InChIKeyRUCJAENBVWQBNL-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.85
Rot. Bonds2

About N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide

N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide (PubChem CID 3830993) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
PubChem CID3830993
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1)c1ccncc1
InChIInChI=1S/C17H20N4O4/c22-12-8-14-16(24)20-6-3-11(7-13(20)17(25)21(14)9-12)19-15(23)10-1-4-18-5-2-10/h1-2,4-5,11-14,22H,3,6-9H2,(H,19,23)
InChIKeyRUCJAENBVWQBNL-UHFFFAOYSA-N
XLogP-0.85
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-8-yl)pyridine-4-carboxamide
CID 3749820
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide
CID 3871030
N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide
CID 162803971
N-[(7S,8aR)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 163072708
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[(3S,5S,9R)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-4-fluorobenzamide
CID 126461569
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-chloro-4-fluoro-N-[(3S,4S,9S,11R)-11-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl]benzamide
CID 11866084
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide (CID 3830993) is N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide is O=C(NC1CCN2C(=O)C3CC(O)CN3C(=O)C2C1)c1ccncc1.
What is the InChIKey of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide?
The InChIKey is RUCJAENBVWQBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-12-8-14-16(24)20-6-3-11(7-13(20)17(25)21(14)9-12)19-15(23)10-1-4-18-5-2-10/h1-2,4-5,11-14,22H,3,6-9H2,(H,19,23).
What are the key properties of N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide?
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)pyridine-4-carboxamide is sourced from PubChem (CID 3830993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).