1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine

C16H18N6 — CID 23193489

IUPAC1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine
SMILESCCC(/N=C(\NC#N)Nc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C16H18N6/c1-2-14(12-6-4-3-5-7-12)22-16(20-11-17)21-13-8-9-15(18)19-10-13/h3-10,14H,2H2,1H3,(H2,18,19)(H2,20,21,22)
InChIKeyKDPQGMRNYDWFPD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.65
Rot. Bonds4

About 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine

1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine (PubChem CID 23193489) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine
PubChem CID23193489
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine
SMILESCCC(/N=C(\NC#N)Nc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C16H18N6/c1-2-14(12-6-4-3-5-7-12)22-16(20-11-17)21-13-8-9-15(18)19-10-13/h3-10,14H,2H2,1H3,(H2,18,19)(H2,20,21,22)
InChIKeyKDPQGMRNYDWFPD-UHFFFAOYSA-N
XLogP2.65
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.65
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)-3-cyano-2-(1-phenylpropyl)guanidine?
The IUPAC name of 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine (CID 23193489) is 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine is CCC(/N=C(\NC#N)Nc1ccc(N)nc1)c1ccccc1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine?
The InChIKey is KDPQGMRNYDWFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-14(12-6-4-3-5-7-12)22-16(20-11-17)21-13-8-9-15(18)19-10-13/h3-10,14H,2H2,1H3,(H2,18,19)(H2,20,21,22).
What are the key properties of 1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine?
1-(6-amino-3-pyridinyl)-3-cyano-2-(1-phenylpropyl)guanidine has a molecular weight of 294.36 g/mol, XLogP of 2.65, 4 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)-3-cyano-2-(1-phenylpropyl)guanidine is sourced from PubChem (CID 23193489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).