2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide

C21H30N6O — CID 163356599

IUPAC2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCC(C)c1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C21H30N6O/c1-15(2)19-22-9-8-18(25-19)27-12-10-26(11-13-27)16-6-7-17(23-14-16)24-20(28)21(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,23,24,28)
InChIKeySKNMLAMHLWDGGZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.31
Rot. Bonds4

About 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide

2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide (PubChem CID 163356599) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
PubChem CID163356599
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCC(C)c1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C21H30N6O/c1-15(2)19-22-9-8-18(25-19)27-12-10-26(11-13-27)16-6-7-17(23-14-16)24-20(28)21(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,23,24,28)
InChIKeySKNMLAMHLWDGGZ-UHFFFAOYSA-N
XLogP3.31
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide (CID 163356599) is 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide is CC(C)c1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1.
What is the InChIKey of 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The InChIKey is SKNMLAMHLWDGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(2)19-22-9-8-18(25-19)27-12-10-26(11-13-27)16-6-7-17(23-14-16)24-20(28)21(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,23,24,28).
What are the key properties of 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 163356599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).