N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide

C22H25N5O2S — CID 3222599

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
SMILESCCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccnc2)c1
InChIInChI=1S/C22H25N5O2S/c1-5-15-8-6-10-17(12-15)27(21(29)18-14-30-26-25-18)19(16-9-7-11-23-13-16)20(28)24-22(2,3)4/h6-14,19H,5H2,1-4H3,(H,24,28)
InChIKeyZRBBFVXAQCBJEI-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3222599) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
PubChem CID3222599
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
SMILESCCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccnc2)c1
InChIInChI=1S/C22H25N5O2S/c1-5-15-8-6-10-17(12-15)27(21(29)18-14-30-26-25-18)19(16-9-7-11-23-13-16)20(28)24-22(2,3)4/h6-14,19H,5H2,1-4H3,(H,24,28)
InChIKeyZRBBFVXAQCBJEI-UHFFFAOYSA-N
XLogP3.80
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222102
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 40602388
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 25410805
N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 3222198
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 3222221
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221759
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (CID 3222599) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide is CCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccnc2)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is ZRBBFVXAQCBJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-5-15-8-6-10-17(12-15)27(21(29)18-14-30-26-25-18)19(16-9-7-11-23-13-16)20(28)24-22(2,3)4/h6-14,19H,5H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).