N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide

C21H21N3O3 — CID 126672783

IUPACN-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide
SMILESCOCOc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cnc2N)cc1
InChIInChI=1S/C21H21N3O3/c1-14(25)24-18-5-3-4-16(10-18)17-11-20(21(22)23-12-17)15-6-8-19(9-7-15)27-13-26-2/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyLQFNZSHPTZJLAV-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.94
Rot. Bonds6

About N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide

N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide (PubChem CID 126672783) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide
PubChem CID126672783
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide
SMILESCOCOc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cnc2N)cc1
InChIInChI=1S/C21H21N3O3/c1-14(25)24-18-5-3-4-16(10-18)17-11-20(21(22)23-12-17)15-6-8-19(9-7-15)27-13-26-2/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyLQFNZSHPTZJLAV-UHFFFAOYSA-N
XLogP3.94
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
US10155760, Example 27
CID 118420285
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
(E)-5,5-bis(4-methoxyphenyl)-N-[1,1-dimethyl-4-(3-pyridinyl)butyl]-2,4-pentadienamide
CID 14347338
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-yl-phenyl)-amide
CID 14347434
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-ylmethyl-phenyl)-amide
CID 14347435
1-[(3-Methoxyphenyl)methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 68521624
1-[4-(2-Amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68523303
US9580449, Example A244
CID 71473900
N-(3-(6-Amino-5-(4-hydroxyphenyl)pyridin-3-yl)phenyl)acetamide
CID 126672795
(E)-3-(4-methoxyphenyl)-N-(2-pyridyl)prop-2-enamide
CID 668241

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide (CID 126672783) is N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide is COCOc1ccc(-c2cc(-c3cccc(NC(C)=O)c3)cnc2N)cc1.
What is the InChIKey of N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is LQFNZSHPTZJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(25)24-18-5-3-4-16(10-18)17-11-20(21(22)23-12-17)15-6-8-19(9-7-15)27-13-26-2/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide?
N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-[4-(methoxymethoxy)phenyl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 126672783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).