N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide

C9H13N3 — CID 21131959

IUPACN'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
SMILESC/N=C(\C)Nc1cc(C)ccn1
InChIInChI=1S/C9H13N3/c1-7-4-5-11-9(6-7)12-8(2)10-3/h4-6H,1-3H3,(H,10,11,12)
InChIKeyKBJOEIFVLDMPHT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.85
Rot. Bonds1

About N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide

N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide (PubChem CID 21131959) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
PubChem CID21131959
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
SMILESC/N=C(\C)Nc1cc(C)ccn1
InChIInChI=1S/C9H13N3/c1-7-4-5-11-9(6-7)12-8(2)10-3/h4-6H,1-3H3,(H,10,11,12)
InChIKeyKBJOEIFVLDMPHT-UHFFFAOYSA-N
XLogP1.85
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-3-(4-methyl-2-pyridinyl)thiourea
CID 55279966
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
CID 108814872
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide?
The IUPAC name of N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide (CID 21131959) is N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide is C/N=C(\C)Nc1cc(C)ccn1.
What is the InChIKey of N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide?
The InChIKey is KBJOEIFVLDMPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-4-5-11-9(6-7)12-8(2)10-3/h4-6H,1-3H3,(H,10,11,12).
What are the key properties of N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide?
N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide is sourced from PubChem (CID 21131959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).