2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide

C23H39N3O2 — CID 178064385

IUPAC2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1CCCCCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H39N3O2/c24-23(28)21-12-11-16-25-22(21)13-9-7-5-3-1-2-4-6-8-10-17-26-18-14-20(27)15-19-26/h11-12,16,20,27H,1-10,13-15,17-19H2,(H2,24,28)
InChIKeyLQUQWTGMHYHRRV-UHFFFAOYSA-N
MW389.58 g/mol
LogP4.08
Rot. Bonds14

About 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide

2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide (PubChem CID 178064385) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide
PubChem CID178064385
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1CCCCCCCCCCCCN1CCC(O)CC1
InChIInChI=1S/C23H39N3O2/c24-23(28)21-12-11-16-25-22(21)13-9-7-5-3-1-2-4-6-8-10-17-26-18-14-20(27)15-19-26/h11-12,16,20,27H,1-10,13-15,17-19H2,(H2,24,28)
InChIKeyLQUQWTGMHYHRRV-UHFFFAOYSA-N
XLogP4.08
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[4-(2-cyclohexylacetyl)piperazin-1-yl]hexyl]pyridine-3-carboxamide
CID 68739894
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 154375550
methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
CID 141006469
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
2-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide
CID 172813947
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653
2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
CID 113234725
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxamide
CID 131929979

Frequently Asked Questions

What is the IUPAC name of 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide?
The IUPAC name of 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide (CID 178064385) is 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide is NC(=O)c1cccnc1CCCCCCCCCCCCN1CCC(O)CC1.
What is the InChIKey of 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide?
The InChIKey is LQUQWTGMHYHRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c24-23(28)21-12-11-16-25-22(21)13-9-7-5-3-1-2-4-6-8-10-17-26-18-14-20(27)15-19-26/h11-12,16,20,27H,1-10,13-15,17-19H2,(H2,24,28).
What are the key properties of 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide?
2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide has a molecular weight of 389.58 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide is sourced from PubChem (CID 178064385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).