methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate

C27H23N3O4 — CID 137423025

IUPACmethyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)ccn1
InChIInChI=1S/C27H23N3O4/c1-17-9-11-21(12-10-17)34-27(32)29-22-15-18(2)24(30-25(22)19-7-5-4-6-8-19)20-13-14-28-23(16-20)26(31)33-3/h4-16H,1-3H3,(H,29,32)
InChIKeyFJJQWLOBBLZTOG-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.82
Rot. Bonds5

About methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate

methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 137423025) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate
PubChem CID137423025
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Namemethyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)ccn1
InChIInChI=1S/C27H23N3O4/c1-17-9-11-21(12-10-17)34-27(32)29-22-15-18(2)24(30-25(22)19-7-5-4-6-8-19)20-13-14-28-23(16-20)26(31)33-3/h4-16H,1-3H3,(H,29,32)
InChIKeyFJJQWLOBBLZTOG-UHFFFAOYSA-N
XLogP5.82
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-[5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenyl-2-pyridinyl]pyridine-2-carboxylate
CID 137429978
methyl 4-methylpyridine-2-carboxylate
CID 10920693
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129
(4-methoxyphenyl) N-(2-amino-5-phenylphenyl)carbamate
CID 68785591
phenyl N-(6-butoxy-3-phenylpyridazin-4-yl)carbamate
CID 70533737
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
CID 174848099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate (CID 137423025) is methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate is COC(=O)c1cc(-c2nc(-c3ccccc3)c(NC(=O)Oc3ccc(C)cc3)cc2C)ccn1.
What is the InChIKey of methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is FJJQWLOBBLZTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-17-9-11-21(12-10-17)34-27(32)29-22-15-18(2)24(30-25(22)19-7-5-4-6-8-19)20-13-14-28-23(16-20)26(31)33-3/h4-16H,1-3H3,(H,29,32).
What are the key properties of methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate?
methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 453.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-methyl-5-[(4-methylphenoxy)carbonylamino]-6-phenyl-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 137423025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).