5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

C25H42N4O2 — CID 176560537

IUPAC5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC(C)N1CCN(c2ccc(C(=O)NC3COC3)nc2)CC1)C(C)(CC)CC
InChIInChI=1S/C25H42N4O2/c1-6-20(25(5,7-2)8-3)15-19(4)28-11-13-29(14-12-28)22-9-10-23(26-16-22)24(30)27-21-17-31-18-21/h9-10,16,19-21H,6-8,11-15,17-18H2,1-5H3,(H,27,30)
InChIKeyHRNFSYANDJCNIL-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.96
Rot. Bonds10

About 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 176560537) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
PubChem CID176560537
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC Name5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCC(CC(C)N1CCN(c2ccc(C(=O)NC3COC3)nc2)CC1)C(C)(CC)CC
InChIInChI=1S/C25H42N4O2/c1-6-20(25(5,7-2)8-3)15-19(4)28-11-13-29(14-12-28)22-9-10-23(26-16-22)24(30)27-21-17-31-18-21/h9-10,16,19-21H,6-8,11-15,17-18H2,1-5H3,(H,27,30)
InChIKeyHRNFSYANDJCNIL-UHFFFAOYSA-N
XLogP3.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560627
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964920
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186783
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 176560537) is 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is CCC(CC(C)N1CCN(c2ccc(C(=O)NC3COC3)nc2)CC1)C(C)(CC)CC.
What is the InChIKey of 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The InChIKey is HRNFSYANDJCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-6-20(25(5,7-2)8-3)15-19(4)28-11-13-29(14-12-28)22-9-10-23(26-16-22)24(30)27-21-17-31-18-21/h9-10,16,19-21H,6-8,11-15,17-18H2,1-5H3,(H,27,30).
What are the key properties of 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-diethyl-5-methylheptan-2-yl)piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176560537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).