N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide

C26H25N3O3 — CID 143708568

IUPACN-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC(CC(N)c1cccnc1)c1ccccc1O
InChIInChI=1S/C26H25N3O3/c1-17-21(14-25(32-17)18-8-3-2-4-9-18)26(31)29-23(20-11-5-6-12-24(20)30)15-22(27)19-10-7-13-28-16-19/h2-14,16,22-23,30H,15,27H2,1H3,(H,29,31)
InChIKeyPWBUKLPXKRXXIM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.92
Rot. Bonds7

About N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide

N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 143708568) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID143708568
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC(CC(N)c1cccnc1)c1ccccc1O
InChIInChI=1S/C26H25N3O3/c1-17-21(14-25(32-17)18-8-3-2-4-9-18)26(31)29-23(20-11-5-6-12-24(20)30)15-22(27)19-10-7-13-28-16-19/h2-14,16,22-23,30H,15,27H2,1H3,(H,29,31)
InChIKeyPWBUKLPXKRXXIM-UHFFFAOYSA-N
XLogP4.92
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
CID 83597575
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 7371510
N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143708720
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
CID 16650641
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-5-phenylfuran-3-carboxamide
CID 11530819
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 143708568) is N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NC(CC(N)c1cccnc1)c1ccccc1O.
What is the InChIKey of N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is PWBUKLPXKRXXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-21(14-25(32-17)18-8-3-2-4-9-18)26(31)29-23(20-11-5-6-12-24(20)30)15-22(27)19-10-7-13-28-16-19/h2-14,16,22-23,30H,15,27H2,1H3,(H,29,31).
What are the key properties of N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(2-hydroxyphenyl)-3-pyridin-3-ylpropyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 143708568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).