6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H18N6O2S — CID 133339834

IUPAC6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(=O)NCCCN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C14H18N6O2S/c1-10(21)15-6-3-7-20(2)12-5-4-11(8-16-12)13(22)18-14-19-17-9-23-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,18,19,22)
InChIKeyWRCLCLINEGUBOF-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.15
Rot. Bonds7

About 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339834) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339834
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(=O)NCCCN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C14H18N6O2S/c1-10(21)15-6-3-7-20(2)12-5-4-11(8-16-12)13(22)18-14-19-17-9-23-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,18,19,22)
InChIKeyWRCLCLINEGUBOF-UHFFFAOYSA-N
XLogP1.15
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339216
6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 56795561
6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339682
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[3-[(3-methylfuran-2-carbonyl)amino]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340031
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
CID 133303912
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906

Frequently Asked Questions

What is the IUPAC name of 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339834) is 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(=O)NCCCN(C)c1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WRCLCLINEGUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-10(21)15-6-3-7-20(2)12-5-4-11(8-16-12)13(22)18-14-19-17-9-23-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,18,19,22).
What are the key properties of 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).