2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide

C16H16Cl2N4O2 — CID 5070837

IUPAC2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cccnc1Cl)c1cccnc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c17-13-11(5-3-9-19-13)15(23)21-7-1-2-8-22-16(24)12-6-4-10-20-14(12)18/h3-6,9-10H,1-2,7-8H2,(H,21,23)(H,22,24)
InChIKeyJGRIKCWFUQFEPC-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.72
Rot. Bonds7

About 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide

2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide (PubChem CID 5070837) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide
PubChem CID5070837
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cccnc1Cl)c1cccnc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c17-13-11(5-3-9-19-13)15(23)21-7-1-2-8-22-16(24)12-6-4-10-20-14(12)18/h3-6,9-10H,1-2,7-8H2,(H,21,23)(H,22,24)
InChIKeyJGRIKCWFUQFEPC-UHFFFAOYSA-N
XLogP2.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide (CID 5070837) is 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide is O=C(NCCCCNC(=O)c1cccnc1Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide?
The InChIKey is JGRIKCWFUQFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c17-13-11(5-3-9-19-13)15(23)21-7-1-2-8-22-16(24)12-6-4-10-20-14(12)18/h3-6,9-10H,1-2,7-8H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide?
2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-chloropyridine-3-carbonyl)amino]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 5070837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).