2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine

C19H17N5O — CID 139764224

IUPAC2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1cccc(O)c1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O/c20-19(21)24-23-18(14-8-4-9-15(25)12-14)17-11-5-10-16(22-17)13-6-2-1-3-7-13/h1-12,25H,(H4,20,21,24)/b23-18-
InChIKeyKUTGDWBVIGDAHK-NKFKGCMQSA-N
MW331.38 g/mol
LogP2.48
Rot. Bonds4

About 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine

2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine (PubChem CID 139764224) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine
PubChem CID139764224
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1cccc(O)c1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O/c20-19(21)24-23-18(14-8-4-9-15(25)12-14)17-11-5-10-16(22-17)13-6-2-1-3-7-13/h1-12,25H,(H4,20,21,24)/b23-18-
InChIKeyKUTGDWBVIGDAHK-NKFKGCMQSA-N
XLogP2.48
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
3-(4-hydrazinyl-6-phenylpyrimidin-2-yl)phenol
CID 62252032
2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine
CID 52943986
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
benzene-1,3-diol;4-phenyltriazine
CID 174969661
N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403339
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine (CID 139764224) is 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine is NC(N)=N/N=C(/c1cccc(O)c1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine?
The InChIKey is KUTGDWBVIGDAHK-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H17N5O/c20-19(21)24-23-18(14-8-4-9-15(25)12-14)17-11-5-10-16(22-17)13-6-2-1-3-7-13/h1-12,25H,(H4,20,21,24)/b23-18-.
What are the key properties of 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine?
2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine has a molecular weight of 331.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine is sourced from PubChem (CID 139764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).