ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate

C27H26N4O4 — CID 162731713

IUPACethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccccc3)c2)c(C)c1OCc1ccccc1
InChIInChI=1S/C27H26N4O4/c1-3-34-24(32)16-29-27(33)25-26(35-18-20-10-6-4-7-11-20)19(2)23(15-28-25)21-14-30-31(17-21)22-12-8-5-9-13-22/h4-15,17H,3,16,18H2,1-2H3,(H,29,33)
InChIKeyNXOHCAUJFSODFC-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.11
Rot. Bonds9

About ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate

ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate (PubChem CID 162731713) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
PubChem CID162731713
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Nameethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccccc3)c2)c(C)c1OCc1ccccc1
InChIInChI=1S/C27H26N4O4/c1-3-34-24(32)16-29-27(33)25-26(35-18-20-10-6-4-7-11-20)19(2)23(15-28-25)21-14-30-31(17-21)22-12-8-5-9-13-22/h4-15,17H,3,16,18H2,1-2H3,(H,29,33)
InChIKeyNXOHCAUJFSODFC-UHFFFAOYSA-N
XLogP4.11
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-methylpyrazol-4-yl)-3-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 145965985
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126842402
2-[[3-Hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
CID 141508725
2-[[5-[1-[2-(4-Chlorophenoxy)ethyl]triazol-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 141508747
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437751
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate (CID 162731713) is ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccccc3)c2)c(C)c1OCc1ccccc1.
What is the InChIKey of ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate?
The InChIKey is NXOHCAUJFSODFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-3-34-24(32)16-29-27(33)25-26(35-18-20-10-6-4-7-11-20)19(2)23(15-28-25)21-14-30-31(17-21)22-12-8-5-9-13-22/h4-15,17H,3,16,18H2,1-2H3,(H,29,33).
What are the key properties of ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate?
ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate has a molecular weight of 470.53 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 162731713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).