4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine

C21H30N6 — CID 67088547

IUPAC4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
SMILESNCc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H30N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h6-7,12-14,18,23H,1-5,8-11,15,22H2,(H,24,25)
InChIKeyGCRSEDBVPIVYLT-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.76
Rot. Bonds5

About 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine

4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine (PubChem CID 67088547) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
PubChem CID67088547
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
SMILESNCc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H30N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h6-7,12-14,18,23H,1-5,8-11,15,22H2,(H,24,25)
InChIKeyGCRSEDBVPIVYLT-UHFFFAOYSA-N
XLogP2.76
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine with MolForge

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Related Compounds

[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine
CID 58229709
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
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
CID 58229622
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 137018868
N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 58229715
N-cyclopentyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
CID 67026736
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083794
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
CID 67083674
4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
CID 67088806
N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
CID 67088672
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 142786617

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine (CID 67088547) is 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine is NCc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine?
The InChIKey is GCRSEDBVPIVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h6-7,12-14,18,23H,1-5,8-11,15,22H2,(H,24,25).
What are the key properties of 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine?
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 67088547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).