N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide

C18H20N4O4 — CID 129207208

IUPACN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2cncnc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O4/c23-16-14(8-21-17(24)12-4-2-1-3-5-12)10-26-15(16)9-22-18(25)13-6-19-11-20-7-13/h1-7,11,14-16,23H,8-10H2,(H,21,24)(H,22,25)/t14-,15-,16+/m1/s1
InChIKeyPXQYFKGEEZDGPI-OAGGEKHMSA-N
MW356.38 g/mol
LogP0.01
Rot. Bonds6

About N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide

N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 129207208) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID129207208
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2cncnc2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O4/c23-16-14(8-21-17(24)12-4-2-1-3-5-12)10-26-15(16)9-22-18(25)13-6-19-11-20-7-13/h1-7,11,14-16,23H,8-10H2,(H,21,24)(H,22,25)/t14-,15-,16+/m1/s1
InChIKeyPXQYFKGEEZDGPI-OAGGEKHMSA-N
XLogP0.01
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide (CID 129207208) is N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide is O=C(NC[C@@H]1CO[C@H](CNC(=O)c2cncnc2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is PXQYFKGEEZDGPI-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-16-14(8-21-17(24)12-4-2-1-3-5-12)10-26-15(16)9-22-18(25)13-6-19-11-20-7-13/h1-7,11,14-16,23H,8-10H2,(H,21,24)(H,22,25)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide?
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129207208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).