N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide

C16H15N5O — CID 162738340

IUPACN-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
SMILESCc1cccc(C(=NNC(=O)CC#N)c2cccc(C)n2)n1
InChIInChI=1S/C16H15N5O/c1-11-5-3-7-13(18-11)16(21-20-15(22)9-10-17)14-8-4-6-12(2)19-14/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyUDGITWYQLSFVHW-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.88
Rot. Bonds4

About N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide

N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide (PubChem CID 162738340) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
PubChem CID162738340
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
SMILESCc1cccc(C(=NNC(=O)CC#N)c2cccc(C)n2)n1
InChIInChI=1S/C16H15N5O/c1-11-5-3-7-13(18-11)16(21-20-15(22)9-10-17)14-8-4-6-12(2)19-14/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyUDGITWYQLSFVHW-UHFFFAOYSA-N
XLogP1.88
TPSA91.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide (CID 162738340) is N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide is Cc1cccc(C(=NNC(=O)CC#N)c2cccc(C)n2)n1.
What is the InChIKey of N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide?
The InChIKey is UDGITWYQLSFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-5-3-7-13(18-11)16(21-20-15(22)9-10-17)14-8-4-6-12(2)19-14/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide?
N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide has a molecular weight of 293.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 162738340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).