N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide

C13H16N4O3 — CID 156820687

IUPACN-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1cc/c(=N/N(C=O)C2CCC(=O)NC2=O)n(C)c1
InChIInChI=1S/C13H16N4O3/c1-9-3-5-11(16(2)7-9)15-17(8-18)10-4-6-12(19)14-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,19,20)/b15-11-
InChIKeyNAWULGHFPRGEJN-PTNGSMBKSA-N
MW276.30 g/mol
LogP-0.59
Rot. Bonds3

About N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 156820687) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID156820687
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1cc/c(=N/N(C=O)C2CCC(=O)NC2=O)n(C)c1
InChIInChI=1S/C13H16N4O3/c1-9-3-5-11(16(2)7-9)15-17(8-18)10-4-6-12(19)14-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,19,20)/b15-11-
InChIKeyNAWULGHFPRGEJN-PTNGSMBKSA-N
XLogP-0.59
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-(1-methyl-2-pyridinylidene)amino]formamide
CID 154671440
N-[(Z)-[(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-(dimethylamino)methylidene]amino]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 156836401
3-(6-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 162160713
3-(7-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 162180098
3-(3-Oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157753
Ethane;3-(3-oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157773
3-(3-Oxo-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157792
3-(6-Ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione;propane
CID 177157823
3-(3-Oxo-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157774
3-(6-Ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 177157824
2-(2,6-dioxopiperidin-3-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 177791529

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 156820687) is N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide is Cc1cc/c(=N/N(C=O)C2CCC(=O)NC2=O)n(C)c1.
What is the InChIKey of N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is NAWULGHFPRGEJN-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-3-5-11(16(2)7-9)15-17(8-18)10-4-6-12(19)14-13(10)20/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,19,20)/b15-11-.
What are the key properties of N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 276.30 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethyl-2-pyridinylidene)amino]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 156820687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).