N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide

C16H20N4O2S — CID 124966338

IUPACN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-4-5-13(23-12)14(21)19(2)10-16(22)6-9-20(11-16)15-17-7-3-8-18-15/h3-5,7-8,22H,6,9-11H2,1-2H3/t16-/m0/s1
InChIKeyILAUQZKQJDAKKY-INIZCTEOSA-N
MW332.43 g/mol
LogP1.56
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide (PubChem CID 124966338) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
PubChem CID124966338
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-4-5-13(23-12)14(21)19(2)10-16(22)6-9-20(11-16)15-17-7-3-8-18-15/h3-5,7-8,22H,6,9-11H2,1-2H3/t16-/m0/s1
InChIKeyILAUQZKQJDAKKY-INIZCTEOSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 110124391
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123894
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,2-dimethyl-1,3-oxazole-4-carboxamide
CID 124944697
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 124991397
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
CID 110123986
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124957215
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
CID 110123706
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124942934

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide (CID 124966338) is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)s1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is ILAUQZKQJDAKKY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-4-5-13(23-12)14(21)19(2)10-16(22)6-9-20(11-16)15-17-7-3-8-18-15/h3-5,7-8,22H,6,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 124966338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).