methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate

C26H26N2O5 — CID 143566090

IUPACmethyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(C)(C)CC3)nc1
InChIInChI=1S/C26H26N2O5/c1-26(2)12-11-20-21(32-16-17-7-5-4-6-8-17)13-19(14-22(20)33-26)24(29)28-23-10-9-18(15-27-23)25(30)31-3/h4-10,13-15H,11-12,16H2,1-3H3,(H,27,28,29)
InChIKeySQFFTJMQYDTURU-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.80
Rot. Bonds6

About methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate

methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate (PubChem CID 143566090) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate
PubChem CID143566090
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namemethyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(C)(C)CC3)nc1
InChIInChI=1S/C26H26N2O5/c1-26(2)12-11-20-21(32-16-17-7-5-4-6-8-17)13-19(14-22(20)33-26)24(29)28-23-10-9-18(15-27-23)25(30)31-3/h4-10,13-15H,11-12,16H2,1-3H3,(H,27,28,29)
InChIKeySQFFTJMQYDTURU-UHFFFAOYSA-N
XLogP4.80
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 18791405
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
5-[(2-chlorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromene-7-carboxylic acid
CID 67482733
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate (CID 143566090) is methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(C)(C)CC3)nc1.
What is the InChIKey of methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate?
The InChIKey is SQFFTJMQYDTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-26(2)12-11-20-21(32-16-17-7-5-4-6-8-17)13-19(14-22(20)33-26)24(29)28-23-10-9-18(15-27-23)25(30)31-3/h4-10,13-15H,11-12,16H2,1-3H3,(H,27,28,29).
What are the key properties of methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate?
methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate has a molecular weight of 446.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 143566090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).