(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide

C24H25N5O7 — CID 56588269

IUPAC(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H25N5O7/c30-17-9-11-29(24(35)28-17)23-19(32)18(31)20(36-23)22(34)27-16(12-14-6-2-1-3-7-14)21(33)26-13-15-8-4-5-10-25-15/h1-11,16,18-20,23,31-32H,12-13H2,(H,26,33)(H,27,34)(H,28,30,35)/t16-,18+,19-,20+,23-/m1/s1
InChIKeyCVOBINDQXZQMHA-NXOMJONSSA-N
MW495.49 g/mol
LogP-1.41
Rot. Bonds8

About (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide

(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide (PubChem CID 56588269) has the molecular formula C24H25N5O7 and a molecular weight of 495.49 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide
PubChem CID56588269
Molecular FormulaC24H25N5O7
Molecular Weight495.49 g/mol
Exact Mass495.18
IUPAC Name(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H25N5O7/c30-17-9-11-29(24(35)28-17)23-19(32)18(31)20(36-23)22(34)27-16(12-14-6-2-1-3-7-14)21(33)26-13-15-8-4-5-10-25-15/h1-11,16,18-20,23,31-32H,12-13H2,(H,26,33)(H,27,34)(H,28,30,35)/t16-,18+,19-,20+,23-/m1/s1
InChIKeyCVOBINDQXZQMHA-NXOMJONSSA-N
XLogP-1.41
TPSA175.64 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,3S,4R,5R)-N-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 56588333
(2R)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-3-phenyl-N-(2-phenylpropyl)propanamide
CID 51361644
(2R)-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 51361641
N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 71691768
N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 163464564
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-3-methyl-4-pyridin-2-ylbutanoyl]amino]-2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
CID 163045814
[(2S)-1-[[(2S)-1-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 10840529
(2S,3R,4S,5R)-N-[2-[bis(diethoxyphosphoryl)methylamino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
CID 87466681
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(3S)-2-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-(2-pyridin-2-ylethyl)oxirane-2,3-dicarboxamide
CID 59094111
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide (CID 56588269) is (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is CVOBINDQXZQMHA-NXOMJONSSA-N. The full InChI is InChI=1S/C24H25N5O7/c30-17-9-11-29(24(35)28-17)23-19(32)18(31)20(36-23)22(34)27-16(12-14-6-2-1-3-7-14)21(33)26-13-15-8-4-5-10-25-15/h1-11,16,18-20,23,31-32H,12-13H2,(H,26,33)(H,27,34)(H,28,30,35)/t16-,18+,19-,20+,23-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide?
(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 495.49 g/mol, XLogP of -1.41, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 56588269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).