N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide

C15H18N4O2 — CID 177365516

IUPACN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide
SMILESCOc1cccc(CCNc2ccc(/C(N)=N/O)nc2)c1
InChIInChI=1S/C15H18N4O2/c1-21-13-4-2-3-11(9-13)7-8-17-12-5-6-14(18-10-12)15(16)19-20/h2-6,9-10,17,20H,7-8H2,1H3,(H2,16,19)
InChIKeyMDWJKGVUIULOGN-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.84
Rot. Bonds6

About N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide

N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide (PubChem CID 177365516) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide
PubChem CID177365516
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide
SMILESCOc1cccc(CCNc2ccc(/C(N)=N/O)nc2)c1
InChIInChI=1S/C15H18N4O2/c1-21-13-4-2-3-11(9-13)7-8-17-12-5-6-14(18-10-12)15(16)19-20/h2-6,9-10,17,20H,7-8H2,1H3,(H2,16,19)
InChIKeyMDWJKGVUIULOGN-UHFFFAOYSA-N
XLogP1.84
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide (CID 177365516) is N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide is COc1cccc(CCNc2ccc(/C(N)=N/O)nc2)c1.
What is the InChIKey of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide?
The InChIKey is MDWJKGVUIULOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-13-4-2-3-11(9-13)7-8-17-12-5-6-14(18-10-12)15(16)19-20/h2-6,9-10,17,20H,7-8H2,1H3,(H2,16,19).
What are the key properties of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide?
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 177365516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).