5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide

C18H19ClN2O4 — CID 91775793

IUPAC5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c19-14-8-13(9-20-18(14)23)17(22)21-15-6-7-24-11-16(15)25-10-12-4-2-1-3-5-12/h1-5,8-9,15-16H,6-7,10-11H2,(H,20,23)(H,21,22)/t15-,16-/m1/s1
InChIKeyADYAMEYGSXSELS-HZPDHXFCSA-N
MW362.81 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 91775793) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
PubChem CID91775793
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c19-14-8-13(9-20-18(14)23)17(22)21-15-6-7-24-11-16(15)25-10-12-4-2-1-3-5-12/h1-5,8-9,15-16H,6-7,10-11H2,(H,20,23)(H,21,22)/t15-,16-/m1/s1
InChIKeyADYAMEYGSXSELS-HZPDHXFCSA-N
XLogP2.13
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 91787671
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide (CID 91775793) is 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is ADYAMEYGSXSELS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-14-8-13(9-20-18(14)23)17(22)21-15-6-7-24-11-16(15)25-10-12-4-2-1-3-5-12/h1-5,8-9,15-16H,6-7,10-11H2,(H,20,23)(H,21,22)/t15-,16-/m1/s1.
What are the key properties of 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91775793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).