N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide

C18H26N6O — CID 71977370

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)nc(C)n1
InChIInChI=1S/C18H26N6O/c1-13-10-17(21-14(2)20-13)24-8-6-16(7-9-24)22-18(25)5-4-15-11-19-23(3)12-15/h10-12,16H,4-9H2,1-3H3,(H,22,25)
InChIKeyNZWQXHGWMWTDFI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71977370) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71977370
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)nc(C)n1
InChIInChI=1S/C18H26N6O/c1-13-10-17(21-14(2)20-13)24-8-6-16(7-9-24)22-18(25)5-4-15-11-19-23(3)12-15/h10-12,16H,4-9H2,1-3H3,(H,22,25)
InChIKeyNZWQXHGWMWTDFI-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 71977370) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cc1cc(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is NZWQXHGWMWTDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-10-17(21-14(2)20-13)24-8-6-16(7-9-24)22-18(25)5-4-15-11-19-23(3)12-15/h10-12,16H,4-9H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 342.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71977370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).