N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide

C14H18N6O3 — CID 110139525

IUPACN-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@]1(O)CCN(c2cnccn2)C[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C14H18N6O3/c21-11-7-20(12-6-15-2-3-17-12)4-1-14(11,23)8-18-13(22)10-5-16-9-19-10/h2-3,5-6,9,11,21,23H,1,4,7-8H2,(H,16,19)(H,18,22)/t11-,14-/m1/s1
InChIKeySMMHWQKVJSVHDE-BXUZGUMPSA-N
MW318.34 g/mol
LogP-1.07
Rot. Bonds4

About N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide

N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 110139525) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID110139525
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@]1(O)CCN(c2cnccn2)C[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C14H18N6O3/c21-11-7-20(12-6-15-2-3-17-12)4-1-14(11,23)8-18-13(22)10-5-16-9-19-10/h2-3,5-6,9,11,21,23H,1,4,7-8H2,(H,16,19)(H,18,22)/t11-,14-/m1/s1
InChIKeySMMHWQKVJSVHDE-BXUZGUMPSA-N
XLogP-1.07
TPSA127.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide (CID 110139525) is N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NC[C@]1(O)CCN(c2cnccn2)C[C@H]1O)c1cnc[nH]1.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is SMMHWQKVJSVHDE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H18N6O3/c21-11-7-20(12-6-15-2-3-17-12)4-1-14(11,23)8-18-13(22)10-5-16-9-19-10/h2-3,5-6,9,11,21,23H,1,4,7-8H2,(H,16,19)(H,18,22)/t11-,14-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 318.34 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxy-1-pyrazin-2-ylpiperidin-4-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110139525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).