N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C10H12N4 — CID 143498002

IUPACN'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1ccc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C10H12N4/c1-8-4-5-9(6-11)10(13-8)12-7-14(2)3/h4-5,7H,1-3H3/b12-7+
InChIKeySAJYPBMEMJSAJN-KPKJPENVSA-N
MW188.23 g/mol
LogP1.48
Rot. Bonds2

About N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 143498002) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID143498002
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1ccc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C10H12N4/c1-8-4-5-9(6-11)10(13-8)12-7-14(2)3/h4-5,7H,1-3H3/b12-7+
InChIKeySAJYPBMEMJSAJN-KPKJPENVSA-N
XLogP1.48
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 71307731
N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 66808582
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
CID 3758823
N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 13214577
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 23990833
N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide
CID 14221892
N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662771
N'-(3-cyano-5-fluoropyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662860
N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 176894125
N'-(4-chloro-3,6-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 172622138
N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 12736670

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 143498002) is N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1ccc(C#N)c(/N=C/N(C)C)n1.
What is the InChIKey of N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is SAJYPBMEMJSAJN-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-4-5-9(6-11)10(13-8)12-7-14(2)3/h4-5,7H,1-3H3/b12-7+.
What are the key properties of N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 188.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 143498002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).