4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline

C25H29N5 — CID 90737220

IUPAC4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
SMILESC/C(=N\c1ccc(N(C)C)cc1)c1cccc(/C(C)=N/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C25H29N5/c1-18(26-20-10-14-22(15-11-20)29(3)4)24-8-7-9-25(28-24)19(2)27-21-12-16-23(17-13-21)30(5)6/h7-17H,1-6H3/b26-18+,27-19+
InChIKeyFNTQWNMBWHXCHR-BFNWXZRRSA-N
MW399.54 g/mol
LogP5.49
Rot. Bonds6

About 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline

4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline (PubChem CID 90737220) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
PubChem CID90737220
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
SMILESC/C(=N\c1ccc(N(C)C)cc1)c1cccc(/C(C)=N/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C25H29N5/c1-18(26-20-10-14-22(15-11-20)29(3)4)24-8-7-9-25(28-24)19(2)27-21-12-16-23(17-13-21)30(5)6/h7-17H,1-6H3/b26-18+,27-19+
InChIKeyFNTQWNMBWHXCHR-BFNWXZRRSA-N
XLogP5.49
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
CID 15522728
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 140582338
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
CID 45261151
bis(dichloroiron);N-(4-methylphenyl)-1-[6-[C-methyl-N-[2,3,5,6-tetramethyl-4-[1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]carbonimidoyl]-2-pyridinyl]ethanimine
CID 59979082
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
acetonitrile;dichlororuthenium;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine
CID 139238297
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline (CID 90737220) is 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline is C/C(=N\c1ccc(N(C)C)cc1)c1cccc(/C(C)=N/c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline?
The InChIKey is FNTQWNMBWHXCHR-BFNWXZRRSA-N. The full InChI is InChI=1S/C25H29N5/c1-18(26-20-10-14-22(15-11-20)29(3)4)24-8-7-9-25(28-24)19(2)27-21-12-16-23(17-13-21)30(5)6/h7-17H,1-6H3/b26-18+,27-19+.
What are the key properties of 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline?
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline has a molecular weight of 399.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 90737220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).