3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

C18H26N6O2 — CID 136666559

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CCc3c(C)n[nH]c3C)CC2)n1
InChIInChI=1S/C18H26N6O2/c1-11-10-17(26)21-18(19-11)24-8-6-14(7-9-24)20-16(25)5-4-15-12(2)22-23-13(15)3/h10,14H,4-9H2,1-3H3,(H,20,25)(H,22,23)(H,19,21,26)
InChIKeyZJKDIDBIJKFNGR-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.14
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (PubChem CID 136666559) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
PubChem CID136666559
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CCc3c(C)n[nH]c3C)CC2)n1
InChIInChI=1S/C18H26N6O2/c1-11-10-17(26)21-18(19-11)24-8-6-14(7-9-24)20-16(25)5-4-15-12(2)22-23-13(15)3/h10,14H,4-9H2,1-3H3,(H,20,25)(H,22,23)(H,19,21,26)
InChIKeyZJKDIDBIJKFNGR-UHFFFAOYSA-N
XLogP1.14
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (CID 136666559) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)CCc3c(C)n[nH]c3C)CC2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is ZJKDIDBIJKFNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11-10-17(26)21-18(19-11)24-8-6-14(7-9-24)20-16(25)5-4-15-12(2)22-23-13(15)3/h10,14H,4-9H2,1-3H3,(H,20,25)(H,22,23)(H,19,21,26).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 358.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 136666559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).