2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

C24H26N6O — CID 56970057

IUPAC2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCC(C)(CO)CNc1ccc(-c2cc(C3CC3)cc(Nc3cc(C#N)ccn3)n2)cn1
InChIInChI=1S/C24H26N6O/c1-24(2,15-31)14-28-21-6-5-18(13-27-21)20-10-19(17-3-4-17)11-23(29-20)30-22-9-16(12-25)7-8-26-22/h5-11,13,17,31H,3-4,14-15H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyWFSOQBJDRNXPDK-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.46
Rot. Bonds8

About 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 56970057) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID56970057
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCC(C)(CO)CNc1ccc(-c2cc(C3CC3)cc(Nc3cc(C#N)ccn3)n2)cn1
InChIInChI=1S/C24H26N6O/c1-24(2,15-31)14-28-21-6-5-18(13-27-21)20-10-19(17-3-4-17)11-23(29-20)30-22-9-16(12-25)7-8-26-22/h5-11,13,17,31H,3-4,14-15H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyWFSOQBJDRNXPDK-UHFFFAOYSA-N
XLogP4.46
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 56970057) is 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is CC(C)(CO)CNc1ccc(-c2cc(C3CC3)cc(Nc3cc(C#N)ccn3)n2)cn1.
What is the InChIKey of 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is WFSOQBJDRNXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-24(2,15-31)14-28-21-6-5-18(13-27-21)20-10-19(17-3-4-17)11-23(29-20)30-22-9-16(12-25)7-8-26-22/h5-11,13,17,31H,3-4,14-15H2,1-2H3,(H,27,28)(H,26,29,30).
What are the key properties of 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 414.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 56970057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).