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

C19H26N6O — CID 163356186

IUPAC2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCc1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14-20-8-7-17(22-14)25-11-9-24(10-12-25)15-5-6-16(21-13-15)23-18(26)19(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,21,23,26)
InChIKeyQVQPQUGTOBGSFR-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.49
Rot. Bonds3

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

2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide (PubChem CID 163356186) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
PubChem CID163356186
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCc1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14-20-8-7-17(22-14)25-11-9-24(10-12-25)15-5-6-16(21-13-15)23-18(26)19(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,21,23,26)
InChIKeyQVQPQUGTOBGSFR-UHFFFAOYSA-N
XLogP2.49
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.49
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-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide (CID 163356186) is 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide is Cc1nccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1.
What is the InChIKey of 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
The InChIKey is QVQPQUGTOBGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-20-8-7-17(22-14)25-11-9-24(10-12-25)15-5-6-16(21-13-15)23-18(26)19(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,21,23,26).
What are the key properties of 2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide has a molecular weight of 354.46 g/mol, XLogP of 2.49, 3 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-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 163356186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).