5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide

C18H28N4O2 — CID 109187393

IUPAC5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-4-8-22(9-5-2)18(24)17-7-6-16(14-19-17)21-12-10-20(11-13-21)15(3)23/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyUZJUBQCFUMFKJL-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.01
Rot. Bonds6

About 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109187393) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109187393
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-4-8-22(9-5-2)18(24)17-7-6-16(14-19-17)21-12-10-20(11-13-21)15(3)23/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyUZJUBQCFUMFKJL-UHFFFAOYSA-N
XLogP2.01
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
CID 109196532
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109279210
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
4-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
CID 109084882
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
ethyl 4-[5-(dipropylcarbamoyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 109286321
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide (CID 109187393) is 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)cn1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is UZJUBQCFUMFKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-8-22(9-5-2)18(24)17-7-6-16(14-19-17)21-12-10-20(11-13-21)15(3)23/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).