1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C16H22N6O2 — CID 129473969

IUPAC1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCOc1cc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)ncn1
InChIInChI=1S/C16H22N6O2/c1-3-24-15-9-14(18-11-19-15)21-7-4-5-12(10-21)22-8-6-13(20-22)16(23)17-2/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,17,23)/t12-/m1/s1
InChIKeyDKVLIXNVHXAHSQ-GFCCVEGCSA-N
MW330.39 g/mol
LogP1.27
Rot. Bonds5

About 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 129473969) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID129473969
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCOc1cc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)ncn1
InChIInChI=1S/C16H22N6O2/c1-3-24-15-9-14(18-11-19-15)21-7-4-5-12(10-21)22-8-6-13(20-22)16(23)17-2/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,17,23)/t12-/m1/s1
InChIKeyDKVLIXNVHXAHSQ-GFCCVEGCSA-N
XLogP1.27
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488821
1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129475784
N-methyl-1-[(3S)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129338809
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128977516
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 126810435
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 129473969) is 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CCOc1cc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)ncn1.
What is the InChIKey of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is DKVLIXNVHXAHSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-24-15-9-14(18-11-19-15)21-7-4-5-12(10-21)22-8-6-13(20-22)16(23)17-2/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,17,23)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129473969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).