N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide

C20H31N5O2 — CID 50828269

IUPACN-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC2CCCCC2)cnc1N1CCNCC1
InChIInChI=1S/C20H31N5O2/c1-14(2)19(26)24-17-12-15(20(27)23-16-6-4-3-5-7-16)13-22-18(17)25-10-8-21-9-11-25/h12-14,16,21H,3-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyBYFBOPLKAGAZRH-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.15
Rot. Bonds5

About N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide

N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 50828269) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID50828269
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC2CCCCC2)cnc1N1CCNCC1
InChIInChI=1S/C20H31N5O2/c1-14(2)19(26)24-17-12-15(20(27)23-16-6-4-3-5-7-16)13-22-18(17)25-10-8-21-9-11-25/h12-14,16,21H,3-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyBYFBOPLKAGAZRH-UHFFFAOYSA-N
XLogP2.15
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide (CID 50828269) is N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NC2CCCCC2)cnc1N1CCNCC1.
What is the InChIKey of N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is BYFBOPLKAGAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-14(2)19(26)24-17-12-15(20(27)23-16-6-4-3-5-7-16)13-22-18(17)25-10-8-21-9-11-25/h12-14,16,21H,3-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide?
N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 50828269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).