2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide

C14H19N5 — CID 169111184

IUPAC2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide
SMILESCC/C=N/C(=N\C)C(C)NCc1ccc(C#N)cn1
InChIInChI=1S/C14H19N5/c1-4-7-17-14(16-3)11(2)18-10-13-6-5-12(8-15)9-19-13/h5-7,9,11,18H,4,10H2,1-3H3/b16-14-,17-7+
InChIKeyPKDPSOJITXVOAQ-KZBGNHQJSA-N
MW257.34 g/mol
LogP1.94
Rot. Bonds5

About 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide

2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide (PubChem CID 169111184) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide
PubChem CID169111184
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide
SMILESCC/C=N/C(=N\C)C(C)NCc1ccc(C#N)cn1
InChIInChI=1S/C14H19N5/c1-4-7-17-14(16-3)11(2)18-10-13-6-5-12(8-15)9-19-13/h5-7,9,11,18H,4,10H2,1-3H3/b16-14-,17-7+
InChIKeyPKDPSOJITXVOAQ-KZBGNHQJSA-N
XLogP1.94
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide (CID 169111184) is 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide is CC/C=N/C(=N\C)C(C)NCc1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide?
The InChIKey is PKDPSOJITXVOAQ-KZBGNHQJSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-7-17-14(16-3)11(2)18-10-13-6-5-12(8-15)9-19-13/h5-7,9,11,18H,4,10H2,1-3H3/b16-14-,17-7+.
What are the key properties of 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide?
2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide has a molecular weight of 257.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide is sourced from PubChem (CID 169111184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).