1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine

C20H17N5O — CID 54462075

IUPAC1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine
SMILESN#Cc1ccc(NC(N)=Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H17N5O/c21-13-15-8-10-17(11-9-15)24-20(22)25-19-18(7-4-12-23-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H3,22,23,24,25)
InChIKeyXCHMPWBHMACLHD-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine

1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine (PubChem CID 54462075) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine.

Molecular Properties

Compound Name1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine
PubChem CID54462075
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine
SMILESN#Cc1ccc(NC(N)=Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H17N5O/c21-13-15-8-10-17(11-9-15)24-20(22)25-19-18(7-4-12-23-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H3,22,23,24,25)
InChIKeyXCHMPWBHMACLHD-UHFFFAOYSA-N
XLogP3.59
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-methyl-N-(1-methylpiperidin-4-yl)-4-[[N'-(3-phenylmethoxy-2-pyridinyl)carbamimidoyl]amino]benzamide
CID 123448525
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
dimethyl-[(3-phenylmethoxy-2-pyridinyl)imino]-λ4-sulfane
CID 163657184
4-[(2-bromo-3-pyridinyl)oxymethyl]benzonitrile
CID 47808098
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
1-cyano-2-(4-phenylmethoxyphenyl)guanidine
CID 142011249
N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
CID 54550623
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
4-[(6-methyl-5-phenylmethoxy-3-pyridinyl)methylamino]benzonitrile
CID 143226328

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine?
The IUPAC name of 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine (CID 54462075) is 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine.
What is the SMILES notation for 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine?
The canonical SMILES for 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine is N#Cc1ccc(NC(N)=Nc2ncccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine?
The InChIKey is XCHMPWBHMACLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-13-15-8-10-17(11-9-15)24-20(22)25-19-18(7-4-12-23-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H3,22,23,24,25).
What are the key properties of 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine?
1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine has a molecular weight of 343.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-2-(3-phenylmethoxy-2-pyridinyl)guanidine is sourced from PubChem (CID 54462075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).