N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C20H28N4 — CID 118034859

IUPACN'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)Cc2ccccc2C)nc1C
InChIInChI=1S/C20H28N4/c1-7-23(5)14-21-19-12-16(3)20(22-17(19)4)24(6)13-18-11-9-8-10-15(18)2/h8-12,14H,7,13H2,1-6H3/b21-14+
InChIKeySEGLZVUKOJUPHE-KGENOOAVSA-N
MW324.47 g/mol
LogP4.25
Rot. Bonds6

About N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 118034859) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID118034859
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)Cc2ccccc2C)nc1C
InChIInChI=1S/C20H28N4/c1-7-23(5)14-21-19-12-16(3)20(22-17(19)4)24(6)13-18-11-9-8-10-15(18)2/h8-12,14H,7,13H2,1-6H3/b21-14+
InChIKeySEGLZVUKOJUPHE-KGENOOAVSA-N
XLogP4.25
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.25
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-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
CID 123308692
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679
N'-[5-[1-(dimethylamino)ethenyl]-2,6-dimethyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 145294582
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
CID 154629455
N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 25157057
N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 123383300
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
CID 146381003
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 118034859) is N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)Cc2ccccc2C)nc1C.
What is the InChIKey of N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is SEGLZVUKOJUPHE-KGENOOAVSA-N. The full InChI is InChI=1S/C20H28N4/c1-7-23(5)14-21-19-12-16(3)20(22-17(19)4)24(6)13-18-11-9-8-10-15(18)2/h8-12,14H,7,13H2,1-6H3/b21-14+.
What are the key properties of N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 324.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 118034859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).