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

C11H13N5OS — CID 62185396

IUPAC4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C11H13N5OS/c1-2-4-12-8-3-5-13-9(6-8)10(17)15-11-16-14-7-18-11/h3,5-7H,2,4H2,1H3,(H,12,13)(H,15,16,17)
InChIKeyHNYNPANKMIYNMY-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.01
Rot. Bonds5

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

4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 62185396) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID62185396
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C11H13N5OS/c1-2-4-12-8-3-5-13-9(6-8)10(17)15-11-16-14-7-18-11/h3,5-7H,2,4H2,1H3,(H,12,13)(H,15,16,17)
InChIKeyHNYNPANKMIYNMY-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
N-(1-methylpyrazol-3-yl)-4-(propylamino)pyridine-2-carboxamide
CID 62179498
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 106383359

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 62185396) is 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is HNYNPANKMIYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-2-4-12-8-3-5-13-9(6-8)10(17)15-11-16-14-7-18-11/h3,5-7H,2,4H2,1H3,(H,12,13)(H,15,16,17).
What are the key properties of 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62185396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).