3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane

C25H27N5 — CID 144782610

IUPAC3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane
SMILESCC.Cc1cc(Nc2nccnc2Nc2ccccc2)cc(C)c1-c1ccncc1
InChIInChI=1S/C23H21N5.C2H6/c1-16-14-20(15-17(2)21(16)18-8-10-24-11-9-18)28-23-22(25-12-13-26-23)27-19-6-4-3-5-7-19;1-2/h3-15H,1-2H3,(H,25,27)(H,26,28);1-2H3
InChIKeyLIABZSDDOXNGTN-UHFFFAOYSA-N
MW397.53 g/mol
LogP6.67
Rot. Bonds5

About 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane

3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane (PubChem CID 144782610) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane.

Molecular Properties

Compound Name3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane
PubChem CID144782610
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane
SMILESCC.Cc1cc(Nc2nccnc2Nc2ccccc2)cc(C)c1-c1ccncc1
InChIInChI=1S/C23H21N5.C2H6/c1-16-14-20(15-17(2)21(16)18-8-10-24-11-9-18)28-23-22(25-12-13-26-23)27-19-6-4-3-5-7-19;1-2/h3-15H,1-2H3,(H,25,27)(H,26,28);1-2H3
InChIKeyLIABZSDDOXNGTN-UHFFFAOYSA-N
XLogP6.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
3-chloro-N-phenylpyrazin-2-amine;3,5-dimethylaniline;3-N-(3,5-dimethylphenyl)-2-N-phenylpyrazine-2,3-diamine
CID 162086523
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
4-bromo-N,3-diphenylpyridin-2-amine
CID 67535365
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-anilino-2,6-dimethylphenol
CID 25129480
4-methyl-N,6-diphenylpyridazin-3-amine
CID 59867404
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane?
The IUPAC name of 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane (CID 144782610) is 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane.
What is the SMILES notation for 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane?
The canonical SMILES for 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane is CC.Cc1cc(Nc2nccnc2Nc2ccccc2)cc(C)c1-c1ccncc1.
What is the InChIKey of 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane?
The InChIKey is LIABZSDDOXNGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5.C2H6/c1-16-14-20(15-17(2)21(16)18-8-10-24-11-9-18)28-23-22(25-12-13-26-23)27-19-6-4-3-5-7-19;1-2/h3-15H,1-2H3,(H,25,27)(H,26,28);1-2H3.
What are the key properties of 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane?
3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane has a molecular weight of 397.53 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane is sourced from PubChem (CID 144782610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).