2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate

C34H37N7O7 — CID 175070848

IUPAC2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(-c2ccc(Nc3cncc(NC(=O)c4cccc(NC(=O)CCOCCOCCOC(N)=O)c4)c3)nc2)cc1
InChIInChI=1S/C34H37N7O7/c1-41(2)33(44)24-8-6-23(7-9-24)26-10-11-30(37-20-26)38-28-19-29(22-36-21-28)40-32(43)25-4-3-5-27(18-25)39-31(42)12-13-46-14-15-47-16-17-48-34(35)45/h3-11,18-22H,12-17H2,1-2H3,(H2,35,45)(H,37,38)(H,39,42)(H,40,43)
InChIKeyFLCIYHOIYXWLKD-UHFFFAOYSA-N
MW655.71 g/mol
LogP4.30
Rot. Bonds16

About 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate

2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate (PubChem CID 175070848) has the molecular formula C34H37N7O7 and a molecular weight of 655.71 g/mol. Its IUPAC name is 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate
PubChem CID175070848
Molecular FormulaC34H37N7O7
Molecular Weight655.71 g/mol
Exact Mass655.28
IUPAC Name2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(-c2ccc(Nc3cncc(NC(=O)c4cccc(NC(=O)CCOCCOCCOC(N)=O)c4)c3)nc2)cc1
InChIInChI=1S/C34H37N7O7/c1-41(2)33(44)24-8-6-23(7-9-24)26-10-11-30(37-20-26)38-28-19-29(22-36-21-28)40-32(43)25-4-3-5-27(18-25)39-31(42)12-13-46-14-15-47-16-17-48-34(35)45/h3-11,18-22H,12-17H2,1-2H3,(H2,35,45)(H,37,38)(H,39,42)(H,40,43)
InChIKeyFLCIYHOIYXWLKD-UHFFFAOYSA-N
XLogP4.30
TPSA187.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.71
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]carbamate
CID 142612636
4-[6-[[5-[3-(3-acetamidophenyl)propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 175076884
[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]carbamic acid
CID 155225827
4-[6-[[5-[3-[3-[4-(dimethylamino)but-2-enoylamino]phenyl]propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 155225850
4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612561
4-[6-[[5-[(2-cyanoacetyl)amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612601
3-[2-bromo-4-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]propanoic acid
CID 166784761
4-[6-[[5-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612575
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
CID 164589633
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate (CID 175070848) is 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate is CN(C)C(=O)c1ccc(-c2ccc(Nc3cncc(NC(=O)c4cccc(NC(=O)CCOCCOCCOC(N)=O)c4)c3)nc2)cc1.
What is the InChIKey of 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate?
The InChIKey is FLCIYHOIYXWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O7/c1-41(2)33(44)24-8-6-23(7-9-24)26-10-11-30(37-20-26)38-28-19-29(22-36-21-28)40-32(43)25-4-3-5-27(18-25)39-31(42)12-13-46-14-15-47-16-17-48-34(35)45/h3-11,18-22H,12-17H2,1-2H3,(H2,35,45)(H,37,38)(H,39,42)(H,40,43).
What are the key properties of 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate?
2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate has a molecular weight of 655.71 g/mol, XLogP of 4.30, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]anilino]-3-oxopropoxy]ethoxy]ethyl carbamate is sourced from PubChem (CID 175070848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).