(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide

C18H19ClN2O3 — CID 124605952

IUPAC(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCOC1
InChIInChI=1S/C18H19ClN2O3/c19-16-9-15(21-18(22)14-4-2-8-23-12-14)5-6-17(16)24-11-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyAJSGVYUTRDTGNK-AWEZNQCLSA-N
MW346.81 g/mol
LogP3.68
Rot. Bonds5

About (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide

(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide (PubChem CID 124605952) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
PubChem CID124605952
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCOC1
InChIInChI=1S/C18H19ClN2O3/c19-16-9-15(21-18(22)14-4-2-8-23-12-14)5-6-17(16)24-11-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyAJSGVYUTRDTGNK-AWEZNQCLSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846962
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 60563088
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 46480295
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
CID 112845425
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
2-[[3-chloro-4-(pyridin-3-ylmethoxy)anilino]methylidene]propanedinitrile
CID 39823160
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide (CID 124605952) is (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide is O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide?
The InChIKey is AJSGVYUTRDTGNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-16-9-15(21-18(22)14-4-2-8-23-12-14)5-6-17(16)24-11-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide?
(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 124605952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).