4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile

C27H30N6 — CID 67088806

IUPAC4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C27H30N6/c28-19-20-6-8-21(9-7-20)24-10-11-26(33-16-14-29-15-17-33)32-27(24)22-12-13-30-25(18-22)31-23-4-2-1-3-5-23/h6-13,18,23,29H,1-5,14-17H2,(H,30,31)
InChIKeyLUAUMFVLXYVAMN-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.84
Rot. Bonds5

About 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile

4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile (PubChem CID 67088806) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
PubChem CID67088806
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC Name4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C27H30N6/c28-19-20-6-8-21(9-7-20)24-10-11-26(33-16-14-29-15-17-33)32-27(24)22-12-13-30-25(18-22)31-23-4-2-1-3-5-23/h6-13,18,23,29H,1-5,14-17H2,(H,30,31)
InChIKeyLUAUMFVLXYVAMN-UHFFFAOYSA-N
XLogP4.84
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile with MolForge

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Related Compounds

N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 58229715
N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
CID 67088672
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 137018868
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
CID 122446737
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
N-cyclopentyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
CID 67026736
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
CID 86694846
4-[3-(cyclopropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63048314

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile (CID 67088806) is 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile?
The InChIKey is LUAUMFVLXYVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6/c28-19-20-6-8-21(9-7-20)24-10-11-26(33-16-14-29-15-17-33)32-27(24)22-12-13-30-25(18-22)31-23-4-2-1-3-5-23/h6-13,18,23,29H,1-5,14-17H2,(H,30,31).
What are the key properties of 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile?
4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile has a molecular weight of 438.58 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 67088806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).