3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide

C16H22N6O3 — CID 136962376

IUPAC3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H22N6O3/c1-10-8-13(23)19-16(17-10)22-6-4-11(5-7-22)18-14(24)12-9-21(2)20-15(12)25-3/h8-9,11H,4-7H2,1-3H3,(H,18,24)(H,17,19,23)
InChIKeyPFMLAAVPPBCMNY-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.22
Rot. Bonds4

About 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 136962376) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID136962376
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H22N6O3/c1-10-8-13(23)19-16(17-10)22-6-4-11(5-7-22)18-14(24)12-9-21(2)20-15(12)25-3/h8-9,11H,4-7H2,1-3H3,(H,18,24)(H,17,19,23)
InChIKeyPFMLAAVPPBCMNY-UHFFFAOYSA-N
XLogP0.22
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide (CID 136962376) is 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is PFMLAAVPPBCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-10-8-13(23)19-16(17-10)22-6-4-11(5-7-22)18-14(24)12-9-21(2)20-15(12)25-3/h8-9,11H,4-7H2,1-3H3,(H,18,24)(H,17,19,23).
What are the key properties of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 136962376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).