N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C14H19N5O — CID 78320932

IUPACN'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCOc1cccc(/N=C(N)/N=C(\N)N2CC=CCC2)c1
InChIInChI=1S/C14H19N5O/c1-20-12-7-5-6-11(10-12)17-13(15)18-14(16)19-8-3-2-4-9-19/h2-3,5-7,10H,4,8-9H2,1H3,(H4,15,16,17,18)
InChIKeyGXVGYZVNOQJDMN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.22
Rot. Bonds2

About N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 78320932) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID78320932
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCOc1cccc(/N=C(N)/N=C(\N)N2CC=CCC2)c1
InChIInChI=1S/C14H19N5O/c1-20-12-7-5-6-11(10-12)17-13(15)18-14(16)19-8-3-2-4-9-19/h2-3,5-7,10H,4,8-9H2,1H3,(H4,15,16,17,18)
InChIKeyGXVGYZVNOQJDMN-UHFFFAOYSA-N
XLogP1.22
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N',4-N'-bis[N'-(3-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134152566
N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142722384
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
4-methyl-N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]piperazine-1-carboximidamide
CID 121358281
N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
1-N',4-N'-bis[N'-(2-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134147776
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 78320932) is N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is COc1cccc(/N=C(N)/N=C(\N)N2CC=CCC2)c1.
What is the InChIKey of N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is GXVGYZVNOQJDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-12-7-5-6-11(10-12)17-13(15)18-14(16)19-8-3-2-4-9-19/h2-3,5-7,10H,4,8-9H2,1H3,(H4,15,16,17,18).
What are the key properties of N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 273.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(3-methoxyphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 78320932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).