N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide

C15H21ClN2O2 — CID 138736486

IUPACN-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide
SMILESCCCC(=O)NC1(c2ncc(Cl)cc2CCC)COC1
InChIInChI=1S/C15H21ClN2O2/c1-3-5-11-7-12(16)8-17-14(11)15(9-20-10-15)18-13(19)6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyNXLYBTILEXSDHA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide

N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide (PubChem CID 138736486) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide.

Molecular Properties

Compound NameN-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide
PubChem CID138736486
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide
SMILESCCCC(=O)NC1(c2ncc(Cl)cc2CCC)COC1
InChIInChI=1S/C15H21ClN2O2/c1-3-5-11-7-12(16)8-17-14(11)15(9-20-10-15)18-13(19)6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyNXLYBTILEXSDHA-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl acetamido(5-chloropyridin-2-yl)propanedioate
CID 323789
[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate
CID 90373785
Tert-butyl 2-[[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]carbamoyl]butanoate
CID 130327036
N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 130327041
2-Methylpropyl 2-[[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]carbamoyl]butanoate
CID 130331394
N-[3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-yl]butane-1-sulfinamide
CID 138736769
3-(5-Chloro-3-fluoro-2-pyridinyl)oxetan-3-amine
CID 145351456
Diethyl 2-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
CID 170724350
N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide
CID 67479185
N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride
CID 69143335
N-[(2S)-3-[5-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-hydroxypropyl]acetamide
CID 70652606
tert-butyl 4-[5-[(2R)-3-acetamido-2-acetyloxypropyl]-3-chloro-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70652833

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide?
The IUPAC name of N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide (CID 138736486) is N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide.
What is the SMILES notation for N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide?
The canonical SMILES for N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide is CCCC(=O)NC1(c2ncc(Cl)cc2CCC)COC1.
What is the InChIKey of N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide?
The InChIKey is NXLYBTILEXSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-5-11-7-12(16)8-17-14(11)15(9-20-10-15)18-13(19)6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide?
N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide has a molecular weight of 296.80 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-3-propyl-2-pyridinyl)oxetan-3-yl]butanamide is sourced from PubChem (CID 138736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).