N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide

C16H20N4O3 — CID 124615597

IUPACN-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1
InChIInChI=1S/C16H20N4O3/c1-2-10-5-7-17-12(8-10)13(21)18-9-11-4-3-6-16(11)14(22)19-15(23)20-16/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,21)(H2,19,20,22,23)/t11-,16-/m1/s1
InChIKeyNBWNCELFWZEBGM-BDJLRTHQSA-N
MW316.36 g/mol
LogP0.75
Rot. Bonds4

About N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide

N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide (PubChem CID 124615597) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide
PubChem CID124615597
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1
InChIInChI=1S/C16H20N4O3/c1-2-10-5-7-17-12(8-10)13(21)18-9-11-4-3-6-16(11)14(22)19-15(23)20-16/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,21)(H2,19,20,22,23)/t11-,16-/m1/s1
InChIKeyNBWNCELFWZEBGM-BDJLRTHQSA-N
XLogP0.75
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide (CID 124615597) is N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide is CCc1ccnc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1.
What is the InChIKey of N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide?
The InChIKey is NBWNCELFWZEBGM-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-10-5-7-17-12(8-10)13(21)18-9-11-4-3-6-16(11)14(22)19-15(23)20-16/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,21)(H2,19,20,22,23)/t11-,16-/m1/s1.
What are the key properties of N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide?
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 124615597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).