1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride

C14H19ClN6 — CID 45260482

IUPAC1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride
SMILESCl.N#CN/C(=N\[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(N)nc1
InChIInChI=1S/C14H18N6.ClH/c15-8-18-14(19-11-3-4-13(16)17-7-11)20-12-6-9-1-2-10(12)5-9;/h3-4,7,9-10,12H,1-2,5-6H2,(H2,16,17)(H2,18,19,20);1H/t9-,10+,12-;/m0./s1
InChIKeyZIVGNHQBUJFAOF-UQBXUTNJSA-N
MW306.80 g/mol
LogP2.11
Rot. Bonds2

About 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride

1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride (PubChem CID 45260482) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride
PubChem CID45260482
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride
SMILESCl.N#CN/C(=N\[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(N)nc1
InChIInChI=1S/C14H18N6.ClH/c15-8-18-14(19-11-3-4-13(16)17-7-11)20-12-6-9-1-2-10(12)5-9;/h3-4,7,9-10,12H,1-2,5-6H2,(H2,16,17)(H2,18,19,20);1H/t9-,10+,12-;/m0./s1
InChIKeyZIVGNHQBUJFAOF-UQBXUTNJSA-N
XLogP2.11
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride?
The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride (CID 45260482) is 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride is Cl.N#CN/C(=N\[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(N)nc1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride?
The InChIKey is ZIVGNHQBUJFAOF-UQBXUTNJSA-N. The full InChI is InChI=1S/C14H18N6.ClH/c15-8-18-14(19-11-3-4-13(16)17-7-11)20-12-6-9-1-2-10(12)5-9;/h3-4,7,9-10,12H,1-2,5-6H2,(H2,16,17)(H2,18,19,20);1H/t9-,10+,12-;/m0./s1.
What are the key properties of 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride?
1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride is sourced from PubChem (CID 45260482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).