N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide

C21H18N4O2 — CID 129052064

IUPACN-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-19-4-2-3-15(9-19)12-25-13-18(7-8-21(25)27)16-5-6-17-11-22-24-20(17)10-16/h2-11,13H,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyDYIZARYDRMKISJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.40
Rot. Bonds4

About N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide

N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide (PubChem CID 129052064) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
PubChem CID129052064
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-19-4-2-3-15(9-19)12-25-13-18(7-8-21(25)27)16-5-6-17-11-22-24-20(17)10-16/h2-11,13H,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyDYIZARYDRMKISJ-UHFFFAOYSA-N
XLogP3.40
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
CID 140931435
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
1-[[2-(bromomethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[[2-(hydroxymethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 161240899
5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129052048
1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052059
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268
1-[[4-(2-aminoethylamino)-3-nitrophenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;hydrochloride
CID 129052017
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
methyl 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzoate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 160955964
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063771

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide (CID 129052064) is N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1.
What is the InChIKey of N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
The InChIKey is DYIZARYDRMKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)23-19-4-2-3-15(9-19)12-25-13-18(7-8-21(25)27)16-5-6-17-11-22-24-20(17)10-16/h2-11,13H,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide?
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 129052064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).