[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide

C28H25N4O3- — CID 143708792

IUPAC[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide
SMILES[N-]=C(CC(NC(=O)Nc1cccc(C(O)c2ccccc2)c1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C28H25N4O3/c29-24(21-11-7-15-30-18-21)17-25(23-13-4-5-14-26(23)33)32-28(35)31-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,27,33-34H,17H2,(H2,31,32,35)/q-1
InChIKeyKGVPJBZSFHJPFJ-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.18
Rot. Bonds8

About [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide

[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide (PubChem CID 143708792) has the molecular formula C28H25N4O3- and a molecular weight of 465.53 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide
PubChem CID143708792
Molecular FormulaC28H25N4O3-
Molecular Weight465.53 g/mol
Exact Mass465.19
IUPAC Name[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide
SMILES[N-]=C(CC(NC(=O)Nc1cccc(C(O)c2ccccc2)c1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C28H25N4O3/c29-24(21-11-7-15-30-18-21)17-25(23-13-4-5-14-26(23)33)32-28(35)31-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,27,33-34H,17H2,(H2,31,32,35)/q-1
InChIKeyKGVPJBZSFHJPFJ-UHFFFAOYSA-N
XLogP5.18
TPSA116.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-3-(2-phenylmethoxyphenyl)urea
CID 143708884
1-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 143708881
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
CID 139541646
1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
CID 66962975
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
ethyl 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 22608684
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
N-[3-[(2R)-1-pyrazin-2-ylpropan-2-yl]phenyl]pyridine-3-carboxamide
CID 157173589

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide?
The IUPAC name of [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide (CID 143708792) is [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide.
What is the SMILES notation for [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide?
The canonical SMILES for [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide is [N-]=C(CC(NC(=O)Nc1cccc(C(O)c2ccccc2)c1)c1ccccc1O)c1cccnc1.
What is the InChIKey of [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide?
The InChIKey is KGVPJBZSFHJPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N4O3/c29-24(21-11-7-15-30-18-21)17-25(23-13-4-5-14-26(23)33)32-28(35)31-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,27,33-34H,17H2,(H2,31,32,35)/q-1.
What are the key properties of [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide?
[3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide has a molecular weight of 465.53 g/mol, XLogP of 5.18, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-3-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoylamino]-1-pyridin-3-ylpropylidene]azanide is sourced from PubChem (CID 143708792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).