N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide

C20H27FN6O — CID 163356577

IUPACN-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCc1ncnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c1F
InChIInChI=1S/C20H27FN6O/c1-5-15-17(21)18(24-13-23-15)27-10-8-26(9-11-27)14-6-7-16(22-12-14)25-19(28)20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,22,25,28)
InChIKeyPSZRBCNZISIKHF-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.88
Rot. Bonds4

About N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 163356577) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID163356577
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC NameN-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCc1ncnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c1F
InChIInChI=1S/C20H27FN6O/c1-5-15-17(21)18(24-13-23-15)27-10-8-26(9-11-27)14-6-7-16(22-12-14)25-19(28)20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,22,25,28)
InChIKeyPSZRBCNZISIKHF-UHFFFAOYSA-N
XLogP2.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 163356577) is N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is CCc1ncnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c1F.
What is the InChIKey of N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is PSZRBCNZISIKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-5-15-17(21)18(24-13-23-15)27-10-8-26(9-11-27)14-6-7-16(22-12-14)25-19(28)20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,22,25,28).
What are the key properties of N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 386.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163356577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).