2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

C14H17ClN4OS — CID 63245018

IUPAC2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2nccs2)cc(Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-2-4-16-12-9-10(8-11(15)19-12)14(20)18-5-3-13-17-6-7-21-13/h6-9H,2-5H2,1H3,(H,16,19)(H,18,20)
InChIKeyJHVSJUXVNXSVBE-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.99
Rot. Bonds7

About 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 63245018) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID63245018
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2nccs2)cc(Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-2-4-16-12-9-10(8-11(15)19-12)14(20)18-5-3-13-17-6-7-21-13/h6-9H,2-5H2,1H3,(H,16,19)(H,18,20)
InChIKeyJHVSJUXVNXSVBE-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 63245018) is 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCc2nccs2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is JHVSJUXVNXSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-2-4-16-12-9-10(8-11(15)19-12)14(20)18-5-3-13-17-6-7-21-13/h6-9H,2-5H2,1H3,(H,16,19)(H,18,20).
What are the key properties of 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 63245018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).