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

C18H25N5O2S — CID 133461877

IUPAC6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(CC)C1CC(Nc2ccc(C(=O)Nc3nncs3)cn2)CCO1
InChIInChI=1S/C18H25N5O2S/c1-3-12(4-2)15-9-14(7-8-25-15)21-16-6-5-13(10-19-16)17(24)22-18-23-20-11-26-18/h5-6,10-12,14-15H,3-4,7-9H2,1-2H3,(H,19,21)(H,22,23,24)
InChIKeyCDTSEEGYOFJPAE-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.58
Rot. Bonds7

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

6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133461877) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133461877
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(CC)C1CC(Nc2ccc(C(=O)Nc3nncs3)cn2)CCO1
InChIInChI=1S/C18H25N5O2S/c1-3-12(4-2)15-9-14(7-8-25-15)21-16-6-5-13(10-19-16)17(24)22-18-23-20-11-26-18/h5-6,10-12,14-15H,3-4,7-9H2,1-2H3,(H,19,21)(H,22,23,24)
InChIKeyCDTSEEGYOFJPAE-UHFFFAOYSA-N
XLogP3.58
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364265
6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133435455
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340384
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-[(1-cyclohexylpiperidin-3-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339180
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339327

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133461877) is 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCC(CC)C1CC(Nc2ccc(C(=O)Nc3nncs3)cn2)CCO1.
What is the InChIKey of 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CDTSEEGYOFJPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-3-12(4-2)15-9-14(7-8-25-15)21-16-6-5-13(10-19-16)17(24)22-18-23-20-11-26-18/h5-6,10-12,14-15H,3-4,7-9H2,1-2H3,(H,19,21)(H,22,23,24).
What are the key properties of 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133461877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).