N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide

C25H30N4O2 — CID 162667495

IUPACN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C25H30N4O2/c1-18-21(10-7-11-23(18)20-8-5-4-6-9-20)17-28-24-13-12-22(25(29-24)31-3)16-26-14-15-27-19(2)30/h4-13,26H,14-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBWTHSIXXWSJSNN-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.90
Rot. Bonds10

About N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 162667495) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID162667495
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C25H30N4O2/c1-18-21(10-7-11-23(18)20-8-5-4-6-9-20)17-28-24-13-12-22(25(29-24)31-3)16-26-14-15-27-19(2)30/h4-13,26H,14-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBWTHSIXXWSJSNN-UHFFFAOYSA-N
XLogP3.90
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Bms-202
CID 117951478
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11639248
N-[4,6-bis(2-methoxyphenyl)-2-pyridinyl]acetamide
CID 137651519
N-[5-[(2-acetamidoethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methyl-3-phenylbenzamide
CID 166625984
N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
CID 166634812
(2R)-3-hydroxy-2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
CID 162657958
US10807989, Example SC_1013
CID 130200465
2-chloro-N-[5-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-2-pyridinyl]-3-phenylbenzamide
CID 166630008
N-[5-[(2-acetamidoethylamino)methyl]-6-methoxy-2-pyridinyl]-2-chloro-3-phenylbenzamide
CID 166636544
N-[2-[[2-methoxy-6-[(3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide
CID 137650292
N'-(6-fluoro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948127
BMS202 hydrochloride
CID 127263272

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide (CID 162667495) is N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide is COc1nc(NCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is BWTHSIXXWSJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-21(10-7-11-23(18)20-8-5-4-6-9-20)17-28-24-13-12-22(25(29-24)31-3)16-26-14-15-27-19(2)30/h4-13,26H,14-17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162667495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).