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

C25H22N6 — CID 133286801

IUPAC6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C25H22N6/c26-16-18-10-11-23(27-17-18)31-14-12-20(13-15-31)28-25-29-22-9-5-4-8-21(22)24(30-25)19-6-2-1-3-7-19/h1-11,17,20H,12-15H2,(H,28,29,30)
InChIKeyKHIHHCXTVGSATM-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.64
Rot. Bonds4

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

6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133286801) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133286801
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C25H22N6/c26-16-18-10-11-23(27-17-18)31-14-12-20(13-15-31)28-25-29-22-9-5-4-8-21(22)24(30-25)19-6-2-1-3-7-19/h1-11,17,20H,12-15H2,(H,28,29,30)
InChIKeyKHIHHCXTVGSATM-UHFFFAOYSA-N
XLogP4.64
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286769
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
CID 25071133
6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine
CID 133296098
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110757
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166189625
6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286798

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133286801) is 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)CC2)nc1.
What is the InChIKey of 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KHIHHCXTVGSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c26-16-18-10-11-23(27-17-18)31-14-12-20(13-15-31)28-25-29-22-9-5-4-8-21(22)24(30-25)19-6-2-1-3-7-19/h1-11,17,20H,12-15H2,(H,28,29,30).
What are the key properties of 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133286801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).