N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide

C17H15N5O — CID 12736670

IUPACN'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(C#N)c(/N=C/N(C)C)nc(Oc2ccccc2)c1C#N
InChIInChI=1S/C17H15N5O/c1-12-14(9-18)16(20-11-22(2)3)21-17(15(12)10-19)23-13-7-5-4-6-8-13/h4-8,11H,1-3H3/b20-11+
InChIKeyAMWAADCLRVFXNT-RGVLZGJSSA-N
MW305.34 g/mol
LogP3.15
Rot. Bonds4

About N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 12736670) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID12736670
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(C#N)c(/N=C/N(C)C)nc(Oc2ccccc2)c1C#N
InChIInChI=1S/C17H15N5O/c1-12-14(9-18)16(20-11-22(2)3)21-17(15(12)10-19)23-13-7-5-4-6-8-13/h4-8,11H,1-3H3/b20-11+
InChIKeyAMWAADCLRVFXNT-RGVLZGJSSA-N
XLogP3.15
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 171366783
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
CID 3758823
N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 23990833
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
CID 1475658
5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile
CID 129031340
N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 171367060
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 45104903
N'-(4-cyano-1-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 13214577
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
N'-[4-cyano-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]-N,N-dimethylmethanimidamide
CID 117061761
N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 71307731
N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide
CID 20666593

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 12736670) is N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1c(C#N)c(/N=C/N(C)C)nc(Oc2ccccc2)c1C#N.
What is the InChIKey of N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is AMWAADCLRVFXNT-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-14(9-18)16(20-11-22(2)3)21-17(15(12)10-19)23-13-7-5-4-6-8-13/h4-8,11H,1-3H3/b20-11+.
What are the key properties of N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 305.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12736670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).