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

C24H21N7 — CID 133286769

IUPAC6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc(-c4ccncc4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C24H21N7/c25-15-17-5-6-22(27-16-17)31-13-9-19(10-14-31)28-24-20-3-1-2-4-21(20)29-23(30-24)18-7-11-26-12-8-18/h1-8,11-12,16,19H,9-10,13-14H2,(H,28,29,30)
InChIKeyDZDSEFJDBXNGJB-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.04
Rot. Bonds4

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

6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133286769) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133286769
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC Name6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc(-c4ccncc4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C24H21N7/c25-15-17-5-6-22(27-16-17)31-13-9-19(10-14-31)28-24-20-3-1-2-4-21(20)29-23(30-24)18-7-11-26-12-8-18/h1-8,11-12,16,19H,9-10,13-14H2,(H,28,29,30)
InChIKeyDZDSEFJDBXNGJB-UHFFFAOYSA-N
XLogP4.04
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286801
6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133294350
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
N-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 71884718
tert-butyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 58919641
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
2-[4-[[2-(hydroxymethyl)quinazolin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72916828
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166189625
6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133286769) is 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Nc3nc(-c4ccncc4)nc4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DZDSEFJDBXNGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7/c25-15-17-5-6-22(27-16-17)31-13-9-19(10-14-31)28-24-20-3-1-2-4-21(20)29-23(30-24)18-7-11-26-12-8-18/h1-8,11-12,16,19H,9-10,13-14H2,(H,28,29,30).
What are the key properties of 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 407.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133286769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).