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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Related Compounds

5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-6-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 67344639
N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108244
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108259
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclopentyl-5-piperidin-1-ylpyridine-3-carboxamide
CID 109225879
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740

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).