N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

C15H18N6O2 — CID 110133335

IUPACN-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-10-17-3-2-11(19-10)7-21-8-13(14(22)9-21)20-15(23)12-6-16-4-5-18-12/h2-6,13-14,22H,7-9H2,1H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyVWZZMRKUURVXKH-ZIAGYGMSSA-N
MW314.35 g/mol
LogP-0.45
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 110133335) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID110133335
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-10-17-3-2-11(19-10)7-21-8-13(14(22)9-21)20-15(23)12-6-16-4-5-18-12/h2-6,13-14,22H,7-9H2,1H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyVWZZMRKUURVXKH-ZIAGYGMSSA-N
XLogP-0.45
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133360
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-[(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133376
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 70773403
N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70704731
N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296
N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110133329
N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110118777
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
(2-methylpyrimidin-4-yl)-pyrazin-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 110133335) is N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide is Cc1nccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is VWZZMRKUURVXKH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10-17-3-2-11(19-10)7-21-8-13(14(22)9-21)20-15(23)12-6-16-4-5-18-12/h2-6,13-14,22H,7-9H2,1H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110133335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).