6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

C22H23N7 — CID 133294350

IUPAC6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H23N7/c1-2-18-13-20(28-22(27-18)17-5-9-24-10-6-17)26-19-7-11-29(12-8-19)21-4-3-16(14-23)15-25-21/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3,(H,26,27,28)
InChIKeyAKXJRJIMNHEOIL-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.45
Rot. Bonds5

About 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133294350) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133294350
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H23N7/c1-2-18-13-20(28-22(27-18)17-5-9-24-10-6-17)26-19-7-11-29(12-8-19)21-4-3-16(14-23)15-25-21/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3,(H,26,27,28)
InChIKeyAKXJRJIMNHEOIL-UHFFFAOYSA-N
XLogP3.45
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286769
6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133401190
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]oxypyridine-3-carbonitrile
CID 133462268
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 146129615

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133294350) is 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is CCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AKXJRJIMNHEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-2-18-13-20(28-22(27-18)17-5-9-24-10-6-17)26-19-7-11-29(12-8-19)21-4-3-16(14-23)15-25-21/h3-6,9-10,13,15,19H,2,7-8,11-12H2,1H3,(H,26,27,28).
What are the key properties of 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 385.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133294350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).