N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide

C22H36N4O3 — CID 11304265

IUPACN-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(N2CCN(C(=O)CCCC)CC2)nc1
InChIInChI=1S/C22H36N4O3/c1-3-5-8-21(27)26-14-12-25(13-15-26)20-10-9-19(18-24-20)22(28)23-11-7-17-29-16-6-4-2/h9-10,18H,3-8,11-17H2,1-2H3,(H,23,28)
InChIKeyMRZCBXKKDZYOSV-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.86
Rot. Bonds12

About N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 11304265) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID11304265
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC NameN-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(N2CCN(C(=O)CCCC)CC2)nc1
InChIInChI=1S/C22H36N4O3/c1-3-5-8-21(27)26-14-12-25(13-15-26)20-10-9-19(18-24-20)22(28)23-11-7-17-29-16-6-4-2/h9-10,18H,3-8,11-17H2,1-2H3,(H,23,28)
InChIKeyMRZCBXKKDZYOSV-UHFFFAOYSA-N
XLogP2.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11280398
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 68738487
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 68741601
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-butoxypropyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 158351490
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68737118
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68740139
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68739892

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide (CID 11304265) is N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide is CCCCOCCCNC(=O)c1ccc(N2CCN(C(=O)CCCC)CC2)nc1.
What is the InChIKey of N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is MRZCBXKKDZYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-3-5-8-21(27)26-14-12-25(13-15-26)20-10-9-19(18-24-20)22(28)23-11-7-17-29-16-6-4-2/h9-10,18H,3-8,11-17H2,1-2H3,(H,23,28).
What are the key properties of N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11304265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).