5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide

C14H19ClN2O2 — CID 131894667

IUPAC5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCCO1)c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/c15-11-6-7-13(17-10-11)14(18)16-8-2-1-4-12-5-3-9-19-12/h6-7,10,12H,1-5,8-9H2,(H,16,18)
InChIKeyPWCWANKDHFEHNM-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.81
Rot. Bonds6

About 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide

5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide (PubChem CID 131894667) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
PubChem CID131894667
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCCO1)c1ccc(Cl)cn1
InChIInChI=1S/C14H19ClN2O2/c15-11-6-7-13(17-10-11)14(18)16-8-2-1-4-12-5-3-9-19-12/h6-7,10,12H,1-5,8-9H2,(H,16,18)
InChIKeyPWCWANKDHFEHNM-UHFFFAOYSA-N
XLogP2.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
CID 121498779
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
5-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642487
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
5-chloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103757956
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide (CID 131894667) is 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide is O=C(NCCCCC1CCCO1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide?
The InChIKey is PWCWANKDHFEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-6-7-13(17-10-11)14(18)16-8-2-1-4-12-5-3-9-19-12/h6-7,10,12H,1-5,8-9H2,(H,16,18).
What are the key properties of 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide?
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide is sourced from PubChem (CID 131894667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).