N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide

C9H10Cl2N4O2 — CID 78995207

IUPACN-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)NCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N4O2/c10-6-3-5(4-15-7(6)11)8(16)13-1-2-14-9(12)17/h3-4H,1-2H2,(H,13,16)(H3,12,14,17)
InChIKeyIFNFEXPYWNIZBH-UHFFFAOYSA-N
MW277.11 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide

N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 78995207) has the molecular formula C9H10Cl2N4O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID78995207
Molecular FormulaC9H10Cl2N4O2
Molecular Weight277.11 g/mol
Exact Mass276.02
IUPAC NameN-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)NCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N4O2/c10-6-3-5(4-15-7(6)11)8(16)13-1-2-14-9(12)17/h3-4H,1-2H2,(H,13,16)(H3,12,14,17)
InChIKeyIFNFEXPYWNIZBH-UHFFFAOYSA-N
XLogP0.79
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
CID 63284447
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide (CID 78995207) is N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide is NC(=O)NCCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is IFNFEXPYWNIZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O2/c10-6-3-5(4-15-7(6)11)8(16)13-1-2-14-9(12)17/h3-4H,1-2H2,(H,13,16)(H3,12,14,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide?
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 277.11 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 78995207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).