N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide

C19H20ClN3O5 — CID 118652194

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2cccnc2Cl)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H20ClN3O5/c20-16-13(7-4-8-21-16)18(26)22-9-14-15(24)19(27,11-28-14)10-23-17(25)12-5-2-1-3-6-12/h1-8,14-15,24,27H,9-11H2,(H,22,26)(H,23,25)/t14-,15-,19+/m1/s1
InChIKeyFAYPYGRLGFREDG-CLCXKQKWSA-N
MW405.84 g/mol
LogP0.39
Rot. Bonds6

About N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide (PubChem CID 118652194) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
PubChem CID118652194
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2cccnc2Cl)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H20ClN3O5/c20-16-13(7-4-8-21-16)18(26)22-9-14-15(24)19(27,11-28-14)10-23-17(25)12-5-2-1-3-6-12/h1-8,14-15,24,27H,9-11H2,(H,22,26)(H,23,25)/t14-,15-,19+/m1/s1
InChIKeyFAYPYGRLGFREDG-CLCXKQKWSA-N
XLogP0.39
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 118652151
CID 118652151
CID 118652152
CID 118652152
CID 118652166
CID 118652166
CID 49867157
CID 49867157
CID 4176091
CID 4176091
CID 16678200
CID 16678200
CID 16678201
CID 16678201
CID 24750356
CID 24750356
CID 75536638
CID 75536638
CID 75536794
CID 75536794
CID 75536850
CID 75536850
CID 54658402
CID 54658402

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide (CID 118652194) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide is O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2cccnc2Cl)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide?
The InChIKey is FAYPYGRLGFREDG-CLCXKQKWSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c20-16-13(7-4-8-21-16)18(26)22-9-14-15(24)19(27,11-28-14)10-23-17(25)12-5-2-1-3-6-12/h1-8,14-15,24,27H,9-11H2,(H,22,26)(H,23,25)/t14-,15-,19+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 118652194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).