N',4-dimethyl-2-methylidenepyridine-1-carboximidamide

C9H13N3 — CID 145222590

IUPACN',4-dimethyl-2-methylidenepyridine-1-carboximidamide
SMILESC=C1C=C(C)C=CN1/C(N)=N/C
InChIInChI=1S/C9H13N3/c1-7-4-5-12(8(2)6-7)9(10)11-3/h4-6H,2H2,1,3H3,(H2,10,11)
InChIKeyXXRBCLJBUABATH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.22
Rot. Bonds

About N',4-dimethyl-2-methylidenepyridine-1-carboximidamide

N',4-dimethyl-2-methylidenepyridine-1-carboximidamide (PubChem CID 145222590) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N',4-dimethyl-2-methylidenepyridine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-2-methylidenepyridine-1-carboximidamide
PubChem CID145222590
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN',4-dimethyl-2-methylidenepyridine-1-carboximidamide
SMILESC=C1C=C(C)C=CN1/C(N)=N/C
InChIInChI=1S/C9H13N3/c1-7-4-5-12(8(2)6-7)9(10)11-3/h4-6H,2H2,1,3H3,(H2,10,11)
InChIKeyXXRBCLJBUABATH-UHFFFAOYSA-N
XLogP1.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-Imino-2,3-dihydro-1h-pyrido[1,2-c]pyrimidine
CID 129784296
1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
CID 59107798
1H-cyclohepta[d]pyrimidin-2-amine
CID 87501230
5-[(Z)-2-aminoethenyl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 126593494
5-ethenyl-2-N,2-N,4-N,4-N,3-pentamethyl-6-[(Z)-prop-1-enyl]-4H-pyrimidine-2,4-diamine
CID 138462046
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
CID 143800881
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide;ethane
CID 145222589
5-Methyl-2,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,6,10,13-pentaene
CID 146532291
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
1-Ethyl-4-methylidenepyrimidin-2-amine
CID 174261577
6-[(Z)-but-1-enyl]imino-1,4-dimethylpyridin-3-amine
CID 177040485

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-2-methylidenepyridine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-2-methylidenepyridine-1-carboximidamide (CID 145222590) is N',4-dimethyl-2-methylidenepyridine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-2-methylidenepyridine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-2-methylidenepyridine-1-carboximidamide is C=C1C=C(C)C=CN1/C(N)=N/C.
What is the InChIKey of N',4-dimethyl-2-methylidenepyridine-1-carboximidamide?
The InChIKey is XXRBCLJBUABATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-4-5-12(8(2)6-7)9(10)11-3/h4-6H,2H2,1,3H3,(H2,10,11).
What are the key properties of N',4-dimethyl-2-methylidenepyridine-1-carboximidamide?
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide has a molecular weight of 163.22 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-2-methylidenepyridine-1-carboximidamide is sourced from PubChem (CID 145222590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).