2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C17H20N6 — CID 133336053

IUPAC2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(Nc3ncccc3C#N)CC2)nc(C)n1
InChIInChI=1S/C17H20N6/c1-12-10-16(21-13(2)20-12)23-8-5-15(6-9-23)22-17-14(11-18)4-3-7-19-17/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyCVRMLHXZTUOCEC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.44
Rot. Bonds3

About 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile

2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 133336053) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID133336053
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N2CCC(Nc3ncccc3C#N)CC2)nc(C)n1
InChIInChI=1S/C17H20N6/c1-12-10-16(21-13(2)20-12)23-8-5-15(6-9-23)22-17-14(11-18)4-3-7-19-17/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyCVRMLHXZTUOCEC-UHFFFAOYSA-N
XLogP2.44
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
2-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]benzonitrile
CID 126841981
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3,5-difluorobenzonitrile
CID 133336137
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 133336170
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
2-[4-[(5-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 135087837
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 133336053) is 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile is Cc1cc(N2CCC(Nc3ncccc3C#N)CC2)nc(C)n1.
What is the InChIKey of 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is CVRMLHXZTUOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-10-16(21-13(2)20-12)23-8-5-15(6-9-23)22-17-14(11-18)4-3-7-19-17/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133336053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).