N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride

C52H64ClFN6O7 — CID 159051568

IUPACN-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCCN.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C=O.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl.[2H]CF
InChIInChI=1S/C25H29N3O3.C21H19NO3.C5H12N2O.CH3F.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;1-15-18(9-6-10-19(15)16-7-4-3-5-8-16)14-25-20-12-11-17(13-23)21(22-20)24-2;1-5(8)7-4-2-3-6;1-2;/h4-13,26H,14-17H2,1-3H3,(H,27,29);3-13H,14H2,1-2H3;2-4,6H2,1H3,(H,7,8);1H3;1H/i;;;1D;
InChIKeyXHPFWIDHYMXARM-JLMMQWLNSA-N
MW940.58 g/mol
LogP8.81
Rot. Bonds19

About N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride

N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride (PubChem CID 159051568) has the molecular formula C52H64ClFN6O7 and a molecular weight of 940.58 g/mol. Its IUPAC name is N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
PubChem CID159051568
Molecular FormulaC52H64ClFN6O7
Molecular Weight940.58 g/mol
Exact Mass939.46
IUPAC NameN-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCCN.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C=O.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl.[2H]CF
InChIInChI=1S/C25H29N3O3.C21H19NO3.C5H12N2O.CH3F.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;1-15-18(9-6-10-19(15)16-7-4-3-5-8-16)14-25-20-12-11-17(13-23)21(22-20)24-2;1-5(8)7-4-2-3-6;1-2;/h4-13,26H,14-17H2,1-3H3,(H,27,29);3-13H,14H2,1-2H3;2-4,6H2,1H3,(H,7,8);1H3;1H/i;;;1D;
InChIKeyXHPFWIDHYMXARM-JLMMQWLNSA-N
XLogP8.81
TPSA176.02 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.58
LogP ≤ 58.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride with MolForge

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Related Compounds

5-aminopentan-2-one;2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;6-[[3-[3-[(5,6-dimethoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde;2,2-dimethylpropane;methane;bis(N-[4-[2-methoxy-6-[[3-[3-[[6-methoxy-5-[(4-oxopentylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]butyl]acetamide)
CID 158574600
N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide
CID 160722041
3-[[2-methoxy-6-[[3-[3-[[6-methoxy-5-[(3-oxobutylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methylamino]propanamide
CID 162033449
6-[[3-[2-fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
N'-[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]acetohydrazide
CID 166544455
methyl 4-[2-[(2-acetamidoethylamino)methyl]-5-[(2-methyl-3-phenylphenyl)methoxy]phenoxy]butanoate
CID 118434905
4-[[6-[[3-[3-[[5-[[(3-carboxy-3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-2,2-difluoro-3-hydroxybutanoic acid
CID 135361206
2-[3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]benzonitrile
CID 174997508
2-[[2-ethoxy-6-[[3-[3-[[6-ethoxy-5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methylamino]ethanol
CID 135361046
(3R)-3-hydroxy-6-[6-[[3-[3-[[5-[[[(2S)-2-hydroxy-4-oxopentyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]hexanoic acid
CID 160831793
4-[[6-[[3-[3-[[5-[[(3-carboxy-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-fluorophenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-3-hydroxybutanoic acid
CID 135361375
[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate
CID 163912501

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride (CID 159051568) is N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride is CC(=O)NCCCN.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C=O.COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O.Cl.[2H]CF.
What is the InChIKey of N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
The InChIKey is XHPFWIDHYMXARM-JLMMQWLNSA-N. The full InChI is InChI=1S/C25H29N3O3.C21H19NO3.C5H12N2O.CH3F.ClH/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29;1-15-18(9-6-10-19(15)16-7-4-3-5-8-16)14-25-20-12-11-17(13-23)21(22-20)24-2;1-5(8)7-4-2-3-6;1-2;/h4-13,26H,14-17H2,1-3H3,(H,27,29);3-13H,14H2,1-2H3;2-4,6H2,1H3,(H,7,8);1H3;1H/i;;;1D;.
What are the key properties of N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride?
N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride has a molecular weight of 940.58 g/mol, XLogP of 8.81, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 159051568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).