N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide

C21H18ClN5O4 — CID 69437743

IUPACN'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide
SMILESNC(=O)C(CC(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H18ClN5O4/c22-14-6-9-17(24-12-14)26-18(28)11-16(20(23)30)25-21(31)13-4-7-15(8-5-13)27-10-2-1-3-19(27)29/h1-10,12,16H,11H2,(H2,23,30)(H,25,31)(H,24,26,28)
InChIKeyQUHKDZTZOJBOJG-UHFFFAOYSA-N
MW439.86 g/mol
LogP1.50
Rot. Bonds7

About N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide

N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide (PubChem CID 69437743) has the molecular formula C21H18ClN5O4 and a molecular weight of 439.86 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide
PubChem CID69437743
Molecular FormulaC21H18ClN5O4
Molecular Weight439.86 g/mol
Exact Mass439.10
IUPAC NameN'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide
SMILESNC(=O)C(CC(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H18ClN5O4/c22-14-6-9-17(24-12-14)26-18(28)11-16(20(23)30)25-21(31)13-4-7-15(8-5-13)27-10-2-1-3-19(27)29/h1-10,12,16H,11H2,(H2,23,30)(H,25,31)(H,24,26,28)
InChIKeyQUHKDZTZOJBOJG-UHFFFAOYSA-N
XLogP1.50
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide with MolForge

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Related Compounds

N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 69440218
N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
CID 11363623
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582612
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
N-[4-[(5-chloro-2-pyridinyl)amino]-1-morpholin-4-yl-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10255405
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide
CID 158322028
4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzene-1,2-dicarboxamide
CID 174815497
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide (CID 69437743) is N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide is NC(=O)C(CC(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide?
The InChIKey is QUHKDZTZOJBOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O4/c22-14-6-9-17(24-12-14)26-18(28)11-16(20(23)30)25-21(31)13-4-7-15(8-5-13)27-10-2-1-3-19(27)29/h1-10,12,16H,11H2,(H2,23,30)(H,25,31)(H,24,26,28).
What are the key properties of N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide?
N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide has a molecular weight of 439.86 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide is sourced from PubChem (CID 69437743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).