methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine

C28H38N4O3 — CID 144843100

IUPACmethanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
SMILESCO.COc1ccc(NC(=O)N2CCCCNCCCC2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C16H25N3O2.C11H9N.CH4O/c1-21-15-8-6-14(7-9-15)18-16(20)19-12-4-2-10-17-11-3-5-13-19;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2/h6-9,17H,2-5,10-13H2,1H3,(H,18,20);1-9H;2H,1H3
InChIKeyYVOZPHRZMUBYBL-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.05
Rot. Bonds3

About methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine

methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine (PubChem CID 144843100) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine.

Molecular Properties

Compound Namemethanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
PubChem CID144843100
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Namemethanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
SMILESCO.COc1ccc(NC(=O)N2CCCCNCCCC2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C16H25N3O2.C11H9N.CH4O/c1-21-15-8-6-14(7-9-15)18-16(20)19-12-4-2-10-17-11-3-5-13-19;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2/h6-9,17H,2-5,10-13H2,1H3,(H,18,20);1-9H;2H,1H3
InChIKeyYVOZPHRZMUBYBL-UHFFFAOYSA-N
XLogP5.05
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
1,3-diphenylpyrrole;methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide
CID 144843125
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;N-methylethanamine;2-phenylethynylbenzene
CID 144843104
methanol;N-(3-methoxyphenyl)-1,6-diazecane-1-carboxamide;2-phenylethynylbenzene
CID 144843117
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-(4-methoxyphenyl)diazepane-1-carboxamide
CID 142097805
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(4-methoxyphenyl)-4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135772166

Frequently Asked Questions

What is the IUPAC name of methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine?
The IUPAC name of methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine (CID 144843100) is methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine.
What is the SMILES notation for methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine?
The canonical SMILES for methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine is CO.COc1ccc(NC(=O)N2CCCCNCCCC2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine?
The InChIKey is YVOZPHRZMUBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.C11H9N.CH4O/c1-21-15-8-6-14(7-9-15)18-16(20)19-12-4-2-10-17-11-3-5-13-19;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2/h6-9,17H,2-5,10-13H2,1H3,(H,18,20);1-9H;2H,1H3.
What are the key properties of methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine?
methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine has a molecular weight of 478.64 g/mol, XLogP of 5.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine is sourced from PubChem (CID 144843100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).