5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide

C21H35N5O2 — CID 46385001

IUPAC5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide
SMILESCCCCC(=O)Nc1cc(C(=O)N(CCC)CCC)cnc1N1CCNCC1
InChIInChI=1S/C21H35N5O2/c1-4-7-8-19(27)24-18-15-17(21(28)26(11-5-2)12-6-3)16-23-20(18)25-13-9-22-10-14-25/h15-16,22H,4-14H2,1-3H3,(H,24,27)
InChIKeyWSTPTRSBALRGPZ-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.88
Rot. Bonds10

About 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide

5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide (PubChem CID 46385001) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide
PubChem CID46385001
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide
SMILESCCCCC(=O)Nc1cc(C(=O)N(CCC)CCC)cnc1N1CCNCC1
InChIInChI=1S/C21H35N5O2/c1-4-7-8-19(27)24-18-15-17(21(28)26(11-5-2)12-6-3)16-23-20(18)25-13-9-22-10-14-25/h15-16,22H,4-14H2,1-3H3,(H,24,27)
InChIKeyWSTPTRSBALRGPZ-UHFFFAOYSA-N
XLogP2.88
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828181
N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
CID 46381980
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide
CID 50828335
N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828269
2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide
CID 109254206
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108476
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828223
3-[(2-acetamido-5-methylphenyl)sulfonylamino]-N-butyl-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333477

Frequently Asked Questions

What is the IUPAC name of 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide (CID 46385001) is 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide is CCCCC(=O)Nc1cc(C(=O)N(CCC)CCC)cnc1N1CCNCC1.
What is the InChIKey of 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is WSTPTRSBALRGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-7-8-19(27)24-18-15-17(21(28)26(11-5-2)12-6-3)16-23-20(18)25-13-9-22-10-14-25/h15-16,22H,4-14H2,1-3H3,(H,24,27).
What are the key properties of 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide?
5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 46385001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).