[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate

C23H21N5O3 — CID 59280217

IUPAC[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCc2ccc(-n3[nH]cc(-c4cccnc4)c3=O)nc2)c1C
InChIInChI=1S/C23H21N5O3/c1-15-5-3-7-20(16(15)2)27-23(30)31-14-17-8-9-21(25-11-17)28-22(29)19(13-26-28)18-6-4-10-24-12-18/h3-13,26H,14H2,1-2H3,(H,27,30)
InChIKeyORJONOMESRBSQU-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.99
Rot. Bonds5

About [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate

[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate (PubChem CID 59280217) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Name[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate
PubChem CID59280217
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCc2ccc(-n3[nH]cc(-c4cccnc4)c3=O)nc2)c1C
InChIInChI=1S/C23H21N5O3/c1-15-5-3-7-20(16(15)2)27-23(30)31-14-17-8-9-21(25-11-17)28-22(29)19(13-26-28)18-6-4-10-24-12-18/h3-13,26H,14H2,1-2H3,(H,27,30)
InChIKeyORJONOMESRBSQU-UHFFFAOYSA-N
XLogP3.99
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate with MolForge

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Related Compounds

[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate
CID 25143522
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
CID 143687198
2-(5-bromo-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59186977
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide
CID 59186984
4-pyridin-3-yl-2-quinoxalin-2-yl-1H-pyrazol-3-one;hydrochloride
CID 68805384
ethyl 4-(methylamino)butanoate;N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]formamide
CID 143687190
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
CID 68706385
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78832807
2-[4-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one;2,2,2-trifluoroacetic acid
CID 68717571
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806

Frequently Asked Questions

What is the IUPAC name of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate (CID 59280217) is [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate is Cc1cccc(NC(=O)OCc2ccc(-n3[nH]cc(-c4cccnc4)c3=O)nc2)c1C.
What is the InChIKey of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate?
The InChIKey is ORJONOMESRBSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-5-3-7-20(16(15)2)27-23(30)31-14-17-8-9-21(25-11-17)28-22(29)19(13-26-28)18-6-4-10-24-12-18/h3-13,26H,14H2,1-2H3,(H,27,30).
What are the key properties of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate?
[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate has a molecular weight of 415.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 59280217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).