N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide

C13H10Cl2N4O2 — CID 86576806

IUPACN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1ccccn1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c14-10-5-4-8(12(15)19-10)18-11(20)7-17-13(21)9-3-1-2-6-16-9/h1-6H,7H2,(H,17,21)(H,18,20)
InChIKeyVSIVURCBOBQHFD-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.15
Rot. Bonds4

About N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide

N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 86576806) has the molecular formula C13H10Cl2N4O2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID86576806
Molecular FormulaC13H10Cl2N4O2
Molecular Weight325.16 g/mol
Exact Mass324.02
IUPAC NameN-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1ccccn1)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c14-10-5-4-8(12(15)19-10)18-11(20)7-17-13(21)9-3-1-2-6-16-9/h1-6H,7H2,(H,17,21)(H,18,20)
InChIKeyVSIVURCBOBQHFD-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide (CID 86576806) is N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1ccccn1)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is VSIVURCBOBQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2/c14-10-5-4-8(12(15)19-10)18-11(20)7-17-13(21)9-3-1-2-6-16-9/h1-6H,7H2,(H,17,21)(H,18,20).
What are the key properties of N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide?
N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 86576806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).