2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide

C16H24ClN3O2 — CID 88644002

IUPAC2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cccnc1Cl)C(C)C1(O)CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-11(2)20(12(3)16(22)6-9-18-10-7-16)15(21)13-5-4-8-19-14(13)17/h4-5,8,11-12,18,22H,6-7,9-10H2,1-3H3
InChIKeyNVHXUBYEOZJTFF-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide

2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 88644002) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID88644002
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cccnc1Cl)C(C)C1(O)CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-11(2)20(12(3)16(22)6-9-18-10-7-16)15(21)13-5-4-8-19-14(13)17/h4-5,8,11-12,18,22H,6-7,9-10H2,1-3H3
InChIKeyNVHXUBYEOZJTFF-UHFFFAOYSA-N
XLogP2.09
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide (CID 88644002) is 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C(=O)c1cccnc1Cl)C(C)C1(O)CCNCC1.
What is the InChIKey of 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NVHXUBYEOZJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11(2)20(12(3)16(22)6-9-18-10-7-16)15(21)13-5-4-8-19-14(13)17/h4-5,8,11-12,18,22H,6-7,9-10H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide?
2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-hydroxypiperidin-4-yl)ethyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 88644002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).