N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide

C18H18N4O4 — CID 173299705

IUPACN-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide
SMILESCC(=O)NCC(NC(C)=O)(C(=O)c1ccccn1)C(=O)c1ccccn1
InChIInChI=1S/C18H18N4O4/c1-12(23)21-11-18(22-13(2)24,16(25)14-7-3-5-9-19-14)17(26)15-8-4-6-10-20-15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUHVVHHDQRMXYDY-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.55
Rot. Bonds7

About N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide

N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide (PubChem CID 173299705) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide
PubChem CID173299705
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide
SMILESCC(=O)NCC(NC(C)=O)(C(=O)c1ccccn1)C(=O)c1ccccn1
InChIInChI=1S/C18H18N4O4/c1-12(23)21-11-18(22-13(2)24,16(25)14-7-3-5-9-19-14)17(26)15-8-4-6-10-20-15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUHVVHHDQRMXYDY-UHFFFAOYSA-N
XLogP0.55
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
CID 169034296
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide?
The IUPAC name of N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide (CID 173299705) is N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide.
What is the SMILES notation for N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide?
The canonical SMILES for N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide is CC(=O)NCC(NC(C)=O)(C(=O)c1ccccn1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide?
The InChIKey is UHVVHHDQRMXYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-12(23)21-11-18(22-13(2)24,16(25)14-7-3-5-9-19-14)17(26)15-8-4-6-10-20-15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide?
N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide has a molecular weight of 354.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide is sourced from PubChem (CID 173299705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).