N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide

C9H14N4O5 — CID 57104988

IUPACN-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(O)[C@@H]1OC(NC(=O)c2cnc[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N4O5/c10-7(16)6-4(14)5(15)9(18-6)13-8(17)3-1-11-2-12-3/h1-2,4-7,9,14-16H,10H2,(H,11,12)(H,13,17)/t4-,5+,6-,7?,9?/m1/s1
InChIKeyKCGJXRANDSPKME-YKLDKFLGSA-N
MW258.23 g/mol
LogP-3.14
Rot. Bonds3

About N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide

N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 57104988) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID57104988
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC NameN-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(O)[C@@H]1OC(NC(=O)c2cnc[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N4O5/c10-7(16)6-4(14)5(15)9(18-6)13-8(17)3-1-11-2-12-3/h1-2,4-7,9,14-16H,10H2,(H,11,12)(H,13,17)/t4-,5+,6-,7?,9?/m1/s1
InChIKeyKCGJXRANDSPKME-YKLDKFLGSA-N
XLogP-3.14
TPSA153.72 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.23
LogP ≤ 5-3.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-beta-d-Ribofuranosyl-1H-imidazole-4-carboxamide
CID 3007126
2-Beta-D-ribofuranosylimidazole-4-carboxamide
CID 10105820
9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-3H-purin-6-one
CID 137148779
2'-O-methylinosine
CID 135412763
1-[(3S,5S)-5-(Hydroxymethyl)oxolan-3-yl]imidazole-4-carboxamide
CID 489854
1-[(3R,5R)-5-(Hydroxymethyl)oxolan-3-yl]imidazole-4-carboxamide
CID 489857
2-amino-7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,9-dihydropurin-7-ium-6-one
CID 135976398
Arabinofuranosylguanine
CID 136125470
3-Isoinosine
CID 193428
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536736
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 86769414
1-(2-Deoxy-beta-d-ribofuranosyl)-imidazole-4-carboxamide
CID 15276901

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide (CID 57104988) is N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is NC(O)[C@@H]1OC(NC(=O)c2cnc[nH]2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is KCGJXRANDSPKME-YKLDKFLGSA-N. The full InChI is InChI=1S/C9H14N4O5/c10-7(16)6-4(14)5(15)9(18-6)13-8(17)3-1-11-2-12-3/h1-2,4-7,9,14-16H,10H2,(H,11,12)(H,13,17)/t4-,5+,6-,7?,9?/m1/s1.
What are the key properties of N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide?
N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 258.23 g/mol, XLogP of -3.14, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 57104988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).