2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide

C17H17ClFN3O2 — CID 113010626

IUPAC2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFN3O2/c18-13-4-1-5-14(19)16(13)17(23)22-11-6-7-15(20-9-11)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,21)(H,22,23)
InChIKeyOLEZUSKEYUUKNT-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.72
Rot. Bonds5

About 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 113010626) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID113010626
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFN3O2/c18-13-4-1-5-14(19)16(13)17(23)22-11-6-7-15(20-9-11)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,21)(H,22,23)
InChIKeyOLEZUSKEYUUKNT-UHFFFAOYSA-N
XLogP3.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 143457033
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide (CID 113010626) is 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCC2CCCO2)nc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is OLEZUSKEYUUKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-13-4-1-5-14(19)16(13)17(23)22-11-6-7-15(20-9-11)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,21)(H,22,23).
What are the key properties of 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 349.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113010626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).