N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide

C27H32N3O3P — CID 166171017

IUPACN-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide
SMILESCCC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1cccc(-c2cccc(P(C)C)c2)c1OC
InChIInChI=1S/C27H32N3O3P/c1-7-24(31)21-16-28-25(30-27(32)17(2)3)15-23(21)29-22-13-9-12-20(26(22)33-4)18-10-8-11-19(14-18)34(5)6/h8-17H,7H2,1-6H3,(H2,28,29,30,32)
InChIKeyVQCMDMVQFCMAKG-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.05
Rot. Bonds9

About N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide

N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide (PubChem CID 166171017) has the molecular formula C27H32N3O3P and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide
PubChem CID166171017
Molecular FormulaC27H32N3O3P
Molecular Weight477.55 g/mol
Exact Mass477.22
IUPAC NameN-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide
SMILESCCC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1cccc(-c2cccc(P(C)C)c2)c1OC
InChIInChI=1S/C27H32N3O3P/c1-7-24(31)21-16-28-25(30-27(32)17(2)3)15-23(21)29-22-13-9-12-20(26(22)33-4)18-10-8-11-19(14-18)34(5)6/h8-17H,7H2,1-6H3,(H2,28,29,30,32)
InChIKeyVQCMDMVQFCMAKG-UHFFFAOYSA-N
XLogP6.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
2,2-difluoro-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 162355155
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[[5-[1-(methylamino)ethyl]-2-pyridinyl]amino]-3-pyridinyl]propan-1-one
CID 166799134
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-2-(1-methylazetidin-3-yl)acetamide
CID 166798983
N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-3-pyrrolidin-1-ylpropanamide
CID 166798980
N-[4-[3-(3-dimethylphosphoryl-1,2,4-thiadiazol-5-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166171143
1-[6-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-[2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]-3-pyridinyl]propan-1-one
CID 170207359
cis-(1R,2R)-2-formyl-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 170209250
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
1-[6-[[5-(2-hydroxyethoxy)-1-methylpyrazol-3-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799299
1-[6-[[5-(2-aminoethoxy)pyrazin-2-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799290
1-[6-[(5-ethoxy-1-methylpyrazol-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 170209132

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide (CID 166171017) is N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide is CCC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1cccc(-c2cccc(P(C)C)c2)c1OC.
What is the InChIKey of N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide?
The InChIKey is VQCMDMVQFCMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N3O3P/c1-7-24(31)21-16-28-25(30-27(32)17(2)3)15-23(21)29-22-13-9-12-20(26(22)33-4)18-10-8-11-19(14-18)34(5)6/h8-17H,7H2,1-6H3,(H2,28,29,30,32).
What are the key properties of N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide?
N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide has a molecular weight of 477.55 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-dimethylphosphanylphenyl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 166171017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).