5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide

C14H20ClN3O2 — CID 95099262

IUPAC5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
SMILESCCCO[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-2-6-20-11-4-3-5-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19)/t11-/m0/s1
InChIKeyMAXIKVOASOBVTA-NSHDSACASA-N
MW297.79 g/mol
LogP2.23
Rot. Bonds5

About 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide (PubChem CID 95099262) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
PubChem CID95099262
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
SMILESCCCO[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-2-6-20-11-4-3-5-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19)/t11-/m0/s1
InChIKeyMAXIKVOASOBVTA-NSHDSACASA-N
XLogP2.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide (CID 95099262) is 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide is CCCO[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MAXIKVOASOBVTA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-6-20-11-4-3-5-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19)/t11-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95099262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).