3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide

C10H11ClN6OS — CID 114914367

IUPAC3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2nnns2)n1
InChIInChI=1S/C10H11ClN6OS/c1-2-5-12-7-4-3-6(11)8(13-7)9(18)14-10-15-16-17-19-10/h3-4H,2,5H2,1H3,(H,12,13)(H,14,15,17,18)
InChIKeyCSUBSYPMWVFBJO-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.06
Rot. Bonds5

About 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide

3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide (PubChem CID 114914367) has the molecular formula C10H11ClN6OS and a molecular weight of 298.76 g/mol. Its IUPAC name is 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
PubChem CID114914367
Molecular FormulaC10H11ClN6OS
Molecular Weight298.76 g/mol
Exact Mass298.04
IUPAC Name3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2nnns2)n1
InChIInChI=1S/C10H11ClN6OS/c1-2-5-12-7-4-3-6(11)8(13-7)9(18)14-10-15-16-17-19-10/h3-4H,2,5H2,1H3,(H,12,13)(H,14,15,17,18)
InChIKeyCSUBSYPMWVFBJO-UHFFFAOYSA-N
XLogP2.06
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62179315
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62174427
6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide (CID 114914367) is 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)Nc2nnns2)n1.
What is the InChIKey of 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide?
The InChIKey is CSUBSYPMWVFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6OS/c1-2-5-12-7-4-3-6(11)8(13-7)9(18)14-10-15-16-17-19-10/h3-4H,2,5H2,1H3,(H,12,13)(H,14,15,17,18).
What are the key properties of 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide?
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide has a molecular weight of 298.76 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114914367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).