N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide

C19H24N4O4 — CID 132528861

IUPACN,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide
SMILESCc1cc(=O)ccn1CCNC(=O)CC(=O)NCCn1ccc(=O)cc1C
InChIInChI=1S/C19H24N4O4/c1-14-11-16(24)3-7-22(14)9-5-20-18(26)13-19(27)21-6-10-23-8-4-17(25)12-15(23)2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyXDUKIFKEJWUIAM-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.05
Rot. Bonds8

About N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide

N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide (PubChem CID 132528861) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide
PubChem CID132528861
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide
SMILESCc1cc(=O)ccn1CCNC(=O)CC(=O)NCCn1ccc(=O)cc1C
InChIInChI=1S/C19H24N4O4/c1-14-11-16(24)3-7-22(14)9-5-20-18(26)13-19(27)21-6-10-23-8-4-17(25)12-15(23)2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyXDUKIFKEJWUIAM-UHFFFAOYSA-N
XLogP-0.05
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.05
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-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 139721487
N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108806583
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108726437
N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110204340
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(5-hydroxypentyl)acetamide
CID 108795002
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide?
The IUPAC name of N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide (CID 132528861) is N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide is Cc1cc(=O)ccn1CCNC(=O)CC(=O)NCCn1ccc(=O)cc1C.
What is the InChIKey of N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide?
The InChIKey is XDUKIFKEJWUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-14-11-16(24)3-7-22(14)9-5-20-18(26)13-19(27)21-6-10-23-8-4-17(25)12-15(23)2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide?
N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide has a molecular weight of 372.43 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-methyl-4-oxo-1-pyridinyl)ethyl]propanediamide is sourced from PubChem (CID 132528861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).