2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine

C14H21ClN4O — CID 122097406

IUPAC2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine
SMILESCOc1ncc(C/N=C(\N)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-20-13-12(15)7-10(8-17-13)9-18-14(16)19-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H3,16,18,19)
InChIKeyCDVVIVFDTDMOSS-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.48
Rot. Bonds4

About 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine

2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine (PubChem CID 122097406) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine
PubChem CID122097406
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine
SMILESCOc1ncc(C/N=C(\N)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-20-13-12(15)7-10(8-17-13)9-18-14(16)19-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H3,16,18,19)
InChIKeyCDVVIVFDTDMOSS-UHFFFAOYSA-N
XLogP2.48
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.48
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-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
2-[(3-bromo-4-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111095617
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111091804
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
1-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylguanidine
CID 62532592
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111091803
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine?
The IUPAC name of 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine (CID 122097406) is 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine.
What is the SMILES notation for 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine?
The canonical SMILES for 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine is COc1ncc(C/N=C(\N)NC2CCCCC2)cc1Cl.
What is the InChIKey of 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine?
The InChIKey is CDVVIVFDTDMOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-20-13-12(15)7-10(8-17-13)9-18-14(16)19-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H3,16,18,19).
What are the key properties of 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine?
2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine has a molecular weight of 296.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine is sourced from PubChem (CID 122097406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).