2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide

C14H15N3O — CID 151769516

IUPAC2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Cc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O/c1-18-11-6-4-10(5-7-11)9-13-12(14(15)16)3-2-8-17-13/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyRSHGSJVHHHBIOS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide

2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide (PubChem CID 151769516) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
PubChem CID151769516
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Cc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O/c1-18-11-6-4-10(5-7-11)9-13-12(14(15)16)3-2-8-17-13/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyRSHGSJVHHHBIOS-UHFFFAOYSA-N
XLogP1.97
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
CID 22416542
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide (CID 151769516) is 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The InChIKey is RSHGSJVHHHBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-11-6-4-10(5-7-11)9-13-12(14(15)16)3-2-8-17-13/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide has a molecular weight of 241.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 151769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).