4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid

C22H29N7O3 — CID 67083794

IUPAC4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESNNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C22H29N7O3/c23-27-21(30)16-12-18(26-20(14-16)28-8-10-29(11-9-28)22(31)32)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17H,1-5,8-11,23H2,(H,24,25)(H,27,30)(H,31,32)
InChIKeyKDCZBHOAMMPLRP-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.29
Rot. Bonds5

About 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid

4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 67083794) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID67083794
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESNNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C22H29N7O3/c23-27-21(30)16-12-18(26-20(14-16)28-8-10-29(11-9-28)22(31)32)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17H,1-5,8-11,23H2,(H,24,25)(H,27,30)(H,31,32)
InChIKeyKDCZBHOAMMPLRP-UHFFFAOYSA-N
XLogP2.29
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(phenylcarbamoylamino)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083639
[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 67083707
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 142786617
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
CID 67083674
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836546
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
4-[4-[6-chloro-4-[(4-methoxycarbonylcyclohexyl)amino]-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 87280276

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid (CID 67083794) is 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid is NNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is KDCZBHOAMMPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c23-27-21(30)16-12-18(26-20(14-16)28-8-10-29(11-9-28)22(31)32)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17H,1-5,8-11,23H2,(H,24,25)(H,27,30)(H,31,32).
What are the key properties of 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid?
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67083794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).