(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide

C16H21N7O2 — CID 124735992

IUPAC(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C16H21N7O2/c1-10-8-11(2)20-15(19-10)23-13(5-6-18-23)21-16(25)22-7-3-4-12(9-22)14(17)24/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,17,24)(H,21,25)/t12-/m1/s1
InChIKeyOGMQVHXPQOQVBA-GFCCVEGCSA-N
MW343.39 g/mol
LogP1.01
Rot. Bonds3

About (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide

(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide (PubChem CID 124735992) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
PubChem CID124735992
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C16H21N7O2/c1-10-8-11(2)20-15(19-10)23-13(5-6-18-23)21-16(25)22-7-3-4-12(9-22)14(17)24/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,17,24)(H,21,25)/t12-/m1/s1
InChIKeyOGMQVHXPQOQVBA-GFCCVEGCSA-N
XLogP1.01
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 154804958
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 167974359
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 154757217
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide (CID 124735992) is (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide is Cc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@@H](C(N)=O)C2)n1.
What is the InChIKey of (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The InChIKey is OGMQVHXPQOQVBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-10-8-11(2)20-15(19-10)23-13(5-6-18-23)21-16(25)22-7-3-4-12(9-22)14(17)24/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,17,24)(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 124735992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).