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

C18H20N4O5 — CID 118652204

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ncccn2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O5/c23-14-13(9-21-17(25)15-19-7-4-8-20-15)27-11-18(14,26)10-22-16(24)12-5-2-1-3-6-12/h1-8,13-14,23,26H,9-11H2,(H,21,25)(H,22,24)/t13-,14-,18+/m1/s1
InChIKeyGJTDHNZWTBIXOI-LBTNJELSSA-N
MW372.38 g/mol
LogP-0.87
Rot. Bonds6

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

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide (PubChem CID 118652204) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
PubChem CID118652204
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ncccn2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O5/c23-14-13(9-21-17(25)15-19-7-4-8-20-15)27-11-18(14,26)10-22-16(24)12-5-2-1-3-6-12/h1-8,13-14,23,26H,9-11H2,(H,21,25)(H,22,24)/t13-,14-,18+/m1/s1
InChIKeyGJTDHNZWTBIXOI-LBTNJELSSA-N
XLogP-0.87
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide (CID 118652204) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide is O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ncccn2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide?
The InChIKey is GJTDHNZWTBIXOI-LBTNJELSSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-14-13(9-21-17(25)15-19-7-4-8-20-15)27-11-18(14,26)10-22-16(24)12-5-2-1-3-6-12/h1-8,13-14,23,26H,9-11H2,(H,21,25)(H,22,24)/t13-,14-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 118652204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).