N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide

C27H25N3O4 — CID 46475647

IUPACN-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C27H25N3O4/c31-26(23(16-20-8-3-1-4-9-20)30-27(32)24-12-7-15-33-24)29-18-22-13-14-28-25(17-22)34-19-21-10-5-2-6-11-21/h1-15,17,23H,16,18-19H2,(H,29,31)(H,30,32)
InChIKeyXABWAOQQVLKGAK-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.91
Rot. Bonds10

About N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide (PubChem CID 46475647) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
PubChem CID46475647
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C27H25N3O4/c31-26(23(16-20-8-3-1-4-9-20)30-27(32)24-12-7-15-33-24)29-18-22-13-14-28-25(17-22)34-19-21-10-5-2-6-11-21/h1-15,17,23H,16,18-19H2,(H,29,31)(H,30,32)
InChIKeyXABWAOQQVLKGAK-UHFFFAOYSA-N
XLogP3.91
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612597
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55707207
N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46580682
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34553727
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide (CID 46475647) is N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide?
The InChIKey is XABWAOQQVLKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c31-26(23(16-20-8-3-1-4-9-20)30-27(32)24-12-7-15-33-24)29-18-22-13-14-28-25(17-22)34-19-21-10-5-2-6-11-21/h1-15,17,23H,16,18-19H2,(H,29,31)(H,30,32).
What are the key properties of N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46475647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).