N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H11N5OS — CID 646267

IUPACN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H11N5OS/c1-19(13(20)10-5-4-7-15-9-10)14-18-17-12(21-14)11-6-2-3-8-16-11/h2-9H,1H3
InChIKeyKLGVXHZSCSFOKP-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 646267) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID646267
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H11N5OS/c1-19(13(20)10-5-4-7-15-9-10)14-18-17-12(21-14)11-6-2-3-8-16-11/h2-9H,1H3
InChIKeyKLGVXHZSCSFOKP-UHFFFAOYSA-N
XLogP2.27
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
CID 1245352
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-isonicotinamide
CID 649519
3-Cyano-N-methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650716
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 651392
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 860498
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1446983
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 646267) is N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is KLGVXHZSCSFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-19(13(20)10-5-4-7-15-9-10)14-18-17-12(21-14)11-6-2-3-8-16-11/h2-9H,1H3.
What are the key properties of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 646267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).