2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide

C13H16ClN5OS — CID 107643171

IUPAC2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2nnc(CC)s2)cc(Cl)n1
InChIInChI=1S/C13H16ClN5OS/c1-3-5-15-10-7-8(6-9(14)16-10)12(20)17-13-19-18-11(4-2)21-13/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyNFYJCBHWTIYAKV-UHFFFAOYSA-N
MW325.83 g/mol
LogP3.22
Rot. Bonds6

About 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 107643171) has the molecular formula C13H16ClN5OS and a molecular weight of 325.83 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID107643171
Molecular FormulaC13H16ClN5OS
Molecular Weight325.83 g/mol
Exact Mass325.08
IUPAC Name2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2nnc(CC)s2)cc(Cl)n1
InChIInChI=1S/C13H16ClN5OS/c1-3-5-15-10-7-8(6-9(14)16-10)12(20)17-13-19-18-11(4-2)21-13/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyNFYJCBHWTIYAKV-UHFFFAOYSA-N
XLogP3.22
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 107643149
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-6-hydrazinyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 106262288
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
CID 100657762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide (CID 107643171) is 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2nnc(CC)s2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is NFYJCBHWTIYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5OS/c1-3-5-15-10-7-8(6-9(14)16-10)12(20)17-13-19-18-11(4-2)21-13/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 325.83 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107643171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).