N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

C23H18FN5O2S — CID 3222013

IUPACN-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1
InChIInChI=1S/C23H18FN5O2S/c24-18-7-4-8-19(13-18)29(23(31)20-15-32-28-27-20)21(17-9-11-25-12-10-17)22(30)26-14-16-5-2-1-3-6-16/h1-13,15,21H,14H2,(H,26,30)
InChIKeyUSRWUELIMJJOIP-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 3222013) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID3222013
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1
InChIInChI=1S/C23H18FN5O2S/c24-18-7-4-8-19(13-18)29(23(31)20-15-32-28-27-20)21(17-9-11-25-12-10-17)22(30)26-14-16-5-2-1-3-6-16/h1-13,15,21H,14H2,(H,26,30)
InChIKeyUSRWUELIMJJOIP-UHFFFAOYSA-N
XLogP3.78
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51508354
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633
N-[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 1452073
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792303
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552663
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552664
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452336

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (CID 3222013) is N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is O=C(NCc1ccccc1)C(c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is USRWUELIMJJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c24-18-7-4-8-19(13-18)29(23(31)20-15-32-28-27-20)21(17-9-11-25-12-10-17)22(30)26-14-16-5-2-1-3-6-16/h1-13,15,21H,14H2,(H,26,30).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).