ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile

C23H28N4 — CID 143520484

IUPACethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile
SMILESCC.CC.Cc1ccncc1NC(c1ccc(C#N)cc1)c1cccnc1
InChIInChI=1S/C19H16N4.2C2H6/c1-14-8-10-22-13-18(14)23-19(17-3-2-9-21-12-17)16-6-4-15(11-20)5-7-16;2*1-2/h2-10,12-13,19,23H,1H3;2*1-2H3
InChIKeyMYABVPPLMNPEQT-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.91
Rot. Bonds4

About ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile

ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile (PubChem CID 143520484) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile.

Molecular Properties

Compound Nameethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile
PubChem CID143520484
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Nameethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile
SMILESCC.CC.Cc1ccncc1NC(c1ccc(C#N)cc1)c1cccnc1
InChIInChI=1S/C19H16N4.2C2H6/c1-14-8-10-22-13-18(14)23-19(17-3-2-9-21-12-17)16-6-4-15(11-20)5-7-16;2*1-2/h2-10,12-13,19,23H,1H3;2*1-2H3
InChIKeyMYABVPPLMNPEQT-UHFFFAOYSA-N
XLogP5.91
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
4-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 55220100
4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
CID 14231171
4-methyl-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine
CID 63329354
1-(4-cyanophenyl)-3-[phenyl(pyridin-3-yl)methyl]thiourea
CID 10688822
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
CID 15079840
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
4-nitro-3-(1-pyridin-3-ylethylamino)benzonitrile
CID 104713460
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
4-methyl-N-pentan-3-ylpyridin-3-amine
CID 63329847

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile?
The IUPAC name of ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile (CID 143520484) is ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile.
What is the SMILES notation for ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile?
The canonical SMILES for ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile is CC.CC.Cc1ccncc1NC(c1ccc(C#N)cc1)c1cccnc1.
What is the InChIKey of ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile?
The InChIKey is MYABVPPLMNPEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4.2C2H6/c1-14-8-10-22-13-18(14)23-19(17-3-2-9-21-12-17)16-6-4-15(11-20)5-7-16;2*1-2/h2-10,12-13,19,23H,1H3;2*1-2H3.
What are the key properties of ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile?
ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile has a molecular weight of 360.51 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[(4-methyl-3-pyridinyl)amino]-pyridin-3-ylmethyl]benzonitrile is sourced from PubChem (CID 143520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).