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

C18H20N4O4 — CID 129207207

IUPACN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccncn2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O4/c23-16-13(8-20-17(24)12-4-2-1-3-5-12)10-26-15(16)9-21-18(25)14-6-7-19-11-22-14/h1-7,11,13,15-16,23H,8-10H2,(H,20,24)(H,21,25)/t13-,15-,16+/m1/s1
InChIKeyWHVOGIOULPMQQB-BMFZPTHFSA-N
MW356.38 g/mol
LogP0.01
Rot. Bonds6

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

N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 129207207) 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-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID129207207
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccncn2)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H20N4O4/c23-16-13(8-20-17(24)12-4-2-1-3-5-12)10-26-15(16)9-21-18(25)14-6-7-19-11-22-14/h1-7,11,13,15-16,23H,8-10H2,(H,20,24)(H,21,25)/t13-,15-,16+/m1/s1
InChIKeyWHVOGIOULPMQQB-BMFZPTHFSA-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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Related Compounds

N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 129207208
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
CID 75536616
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
CID 118652204
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide (CID 129207207) is N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide is O=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccncn2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is WHVOGIOULPMQQB-BMFZPTHFSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-16-13(8-20-17(24)12-4-2-1-3-5-12)10-26-15(16)9-21-18(25)14-6-7-19-11-22-14/h1-7,11,13,15-16,23H,8-10H2,(H,20,24)(H,21,25)/t13-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-carboxamide?
N-[[(2R,3S,4R)-4-(benzamidomethyl)-3-hydroxyoxolan-2-yl]methyl]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 129207207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).