N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane

C20H27N5O — CID 142299218

IUPACN'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
SMILESCCCCC.N/C(=N\c1ccc(O)cc1)c1ccccn1.c1c[nH]cn1
InChIInChI=1S/C12H11N3O.C5H12.C3H4N2/c13-12(11-3-1-2-8-14-11)15-9-4-6-10(16)7-5-9;1-3-5-4-2;1-2-5-3-4-1/h1-8,16H,(H2,13,15);3-5H2,1-2H3;1-3H,(H,4,5)
InChIKeyJQPISPVRXBMEEI-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.43
Rot. Bonds4

About N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane

N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane (PubChem CID 142299218) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
PubChem CID142299218
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
SMILESCCCCC.N/C(=N\c1ccc(O)cc1)c1ccccn1.c1c[nH]cn1
InChIInChI=1S/C12H11N3O.C5H12.C3H4N2/c13-12(11-3-1-2-8-14-11)15-9-4-6-10(16)7-5-9;1-3-5-4-2;1-2-5-3-4-1/h1-8,16H,(H2,13,15);3-5H2,1-2H3;1-3H,(H,4,5)
InChIKeyJQPISPVRXBMEEI-UHFFFAOYSA-N
XLogP4.43
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.43
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'}

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Related Compounds

N'-(4-hydroxy-2-propan-2-yloxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
CID 142299234
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide
CID 136600312
N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole
CID 142299251
ethane;1H-imidazole;N'-[3-methoxy-4-[4-(2-methylpentan-2-yloxy)phenyl]phenyl]pyridine-2-carboximidamide
CID 142299263
N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide
CID 59700907
1H-imidazole;2-pyridin-2-ylacetamide
CID 68897085
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-ethoxyphenyl]furan-2-yl]-3-ethoxyphenyl]pyridine-2-carboximidamide
CID 10119912
N'-aminopyridine-2-carboximidamide
CID 5464234
ethane;prop-1-ene;N'-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]pyridine-2-carboximidamide
CID 142299291
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
benzene-1,2-diamine;1H-imidazole
CID 174792422
N-butyl-1-pyridin-2-ylethanimine
CID 583773

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The IUPAC name of N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane (CID 142299218) is N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane.
What is the SMILES notation for N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The canonical SMILES for N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane is CCCCC.N/C(=N\c1ccc(O)cc1)c1ccccn1.c1c[nH]cn1.
What is the InChIKey of N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
The InChIKey is JQPISPVRXBMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.C5H12.C3H4N2/c13-12(11-3-1-2-8-14-11)15-9-4-6-10(16)7-5-9;1-3-5-4-2;1-2-5-3-4-1/h1-8,16H,(H2,13,15);3-5H2,1-2H3;1-3H,(H,4,5).
What are the key properties of N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane?
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane has a molecular weight of 353.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane is sourced from PubChem (CID 142299218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).