1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C17H24N6O2 — CID 137204395

IUPAC1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-3-12-9-16(24)20-15(19-12)11-22-7-4-5-13(10-22)23-8-6-14(21-23)17(25)18-2/h6,8-9,13H,3-5,7,10-11H2,1-2H3,(H,18,25)(H,19,20,24)/t13-/m0/s1
InChIKeyGNZJQHURRJVGFI-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.73
Rot. Bonds5

About 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 137204395) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID137204395
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-3-12-9-16(24)20-15(19-12)11-22-7-4-5-13(10-22)23-8-6-14(21-23)17(25)18-2/h6,8-9,13H,3-5,7,10-11H2,1-2H3,(H,18,25)(H,19,20,24)/t13-/m0/s1
InChIKeyGNZJQHURRJVGFI-ZDUSSCGKSA-N
XLogP0.73
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 137204395) is 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CCc1cc(=O)[nH]c(CN2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1.
What is the InChIKey of 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is GNZJQHURRJVGFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-12-9-16(24)20-15(19-12)11-22-7-4-5-13(10-22)23-8-6-14(21-23)17(25)18-2/h6,8-9,13H,3-5,7,10-11H2,1-2H3,(H,18,25)(H,19,20,24)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137204395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).