N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H20N4O2S — CID 172658355

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2c(C)ccn(Cc3cccnc3)c2=O)n1
InChIInChI=1S/C19H20N4O2S/c1-3-15-12-26-16(22-15)10-21-18(24)17-13(2)6-8-23(19(17)25)11-14-5-4-7-20-9-14/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)
InChIKeyZQQAEXYTFCOIKF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172658355) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172658355
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2c(C)ccn(Cc3cccnc3)c2=O)n1
InChIInChI=1S/C19H20N4O2S/c1-3-15-12-26-16(22-15)10-21-18(24)17-13(2)6-8-23(19(17)25)11-14-5-4-7-20-9-14/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)
InChIKeyZQQAEXYTFCOIKF-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722
3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661390
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 172671758
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172658355) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCc1csc(CNC(=O)c2c(C)ccn(Cc3cccnc3)c2=O)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZQQAEXYTFCOIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-15-12-26-16(22-15)10-21-18(24)17-13(2)6-8-23(19(17)25)11-14-5-4-7-20-9-14/h4-9,12H,3,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172658355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).