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

C13H17N5OS — CID 107643149

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2nnc(CC)s2)n1
InChIInChI=1S/C13H17N5OS/c1-3-8-14-10-7-5-6-9(15-10)12(19)16-13-18-17-11(4-2)20-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyCDQVQVBUSWRGPQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.57
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 107643149) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID107643149
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2nnc(CC)s2)n1
InChIInChI=1S/C13H17N5OS/c1-3-8-14-10-7-5-6-9(15-10)12(19)16-13-18-17-11(4-2)20-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyCDQVQVBUSWRGPQ-UHFFFAOYSA-N
XLogP2.57
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
N-(4-propan-2-yl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239162
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 106050291
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914340
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239806

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide (CID 107643149) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2nnc(CC)s2)n1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is CDQVQVBUSWRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-8-14-10-7-5-6-9(15-10)12(19)16-13-18-17-11(4-2)20-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107643149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).