N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

C20H25N5O — CID 72939783

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1C
InChIInChI=1S/C20H25N5O/c1-6-9-25-15(5)17(14(4)24-25)11-21-20(26)16-7-8-18-19(10-16)23-13(3)12(2)22-18/h7-8,10H,6,9,11H2,1-5H3,(H,21,26)
InChIKeyXSMHGFMEQPGNHM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.40
Rot. Bonds5

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 72939783) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID72939783
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1C
InChIInChI=1S/C20H25N5O/c1-6-9-25-15(5)17(14(4)24-25)11-21-20(26)16-7-8-18-19(10-16)23-13(3)12(2)22-18/h7-8,10H,6,9,11H2,1-5H3,(H,21,26)
InChIKeyXSMHGFMEQPGNHM-UHFFFAOYSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70754056
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 50969609
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72938319
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058255
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
CID 72936192

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 72939783) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is CCCn1nc(C)c(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is XSMHGFMEQPGNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-6-9-25-15(5)17(14(4)24-25)11-21-20(26)16-7-8-18-19(10-16)23-13(3)12(2)22-18/h7-8,10H,6,9,11H2,1-5H3,(H,21,26).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 72939783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).