5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

C16H16ClN3O4 — CID 124725428

IUPAC5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)cn1
InChIInChI=1S/C16H16ClN3O4/c1-22-14-3-2-11(8-18-14)20-15(21)10-6-13(17)16(19-7-10)24-12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyFGHSWUXNYPMORS-LBPRGKRZSA-N
MW349.77 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124725428) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124725428
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)cn1
InChIInChI=1S/C16H16ClN3O4/c1-22-14-3-2-11(8-18-14)20-15(21)10-6-13(17)16(19-7-10)24-12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyFGHSWUXNYPMORS-LBPRGKRZSA-N
XLogP2.56
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (CID 124725428) is 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)cn1.
What is the InChIKey of 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is FGHSWUXNYPMORS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-22-14-3-2-11(8-18-14)20-15(21)10-6-13(17)16(19-7-10)24-12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124725428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).