ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline

C25H28N2 — CID 145297951

IUPACethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline
SMILESC#Cc1ccc(C2=CN(Cc3cccc(C)c3)C(=C)C=C2)cc1NC.CC
InChIInChI=1S/C23H22N2.C2H6/c1-5-20-11-12-21(14-23(20)24-4)22-10-9-18(3)25(16-22)15-19-8-6-7-17(2)13-19;1-2/h1,6-14,16,24H,3,15H2,2,4H3;1-2H3
InChIKeyKWOYGWSNPFOXLF-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.97
Rot. Bonds4

About ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline

ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline (PubChem CID 145297951) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline.

Molecular Properties

Compound Nameethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline
PubChem CID145297951
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Nameethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline
SMILESC#Cc1ccc(C2=CN(Cc3cccc(C)c3)C(=C)C=C2)cc1NC.CC
InChIInChI=1S/C23H22N2.C2H6/c1-5-20-11-12-21(14-23(20)24-4)22-10-9-18(3)25(16-22)15-19-8-6-7-17(2)13-19;1-2/h1,6-14,16,24H,3,15H2,2,4H3;1-2H3
InChIKeyKWOYGWSNPFOXLF-UHFFFAOYSA-N
XLogP5.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-methylidene-1-(3-methylphenyl)-3-pyridinyl]phenol
CID 89134247
4,6-dimethyl-3-methylidene-1-[(3-methylphenyl)methyl]-2H-pyrazine
CID 134468758
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine
CID 144943855
4-[(3-methylphenyl)methyl]-1,4-oxazine
CID 130223742
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 26029099
N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
CID 91007722
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
CID 59201849
CID 59201849
4-amino-1,5-bis[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100768333
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline?
The IUPAC name of ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline (CID 145297951) is ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline.
What is the SMILES notation for ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline?
The canonical SMILES for ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline is C#Cc1ccc(C2=CN(Cc3cccc(C)c3)C(=C)C=C2)cc1NC.CC.
What is the InChIKey of ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline?
The InChIKey is KWOYGWSNPFOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2.C2H6/c1-5-20-11-12-21(14-23(20)24-4)22-10-9-18(3)25(16-22)15-19-8-6-7-17(2)13-19;1-2/h1,6-14,16,24H,3,15H2,2,4H3;1-2H3.
What are the key properties of ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline?
ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline has a molecular weight of 356.51 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline is sourced from PubChem (CID 145297951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).