N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide

C18H23ClN6O — CID 163356470

IUPACN-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncc(Cl)cn3)CC2)cn1
InChIInChI=1S/C18H23ClN6O/c1-18(2,3)16(26)23-15-5-4-14(12-20-15)24-6-8-25(9-7-24)17-21-10-13(19)11-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,20,23,26)
InChIKeyQVFYXBLDZIDUPE-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.84
Rot. Bonds3

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

N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 163356470) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID163356470
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC NameN-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncc(Cl)cn3)CC2)cn1
InChIInChI=1S/C18H23ClN6O/c1-18(2,3)16(26)23-15-5-4-14(12-20-15)24-6-8-25(9-7-24)17-21-10-13(19)11-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,20,23,26)
InChIKeyQVFYXBLDZIDUPE-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356186
2,2-dimethyl-N-[5-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356185
2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356599
N-[5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 163356577
N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 163357235
3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 82034862
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 163356470) is N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncc(Cl)cn3)CC2)cn1.
What is the InChIKey of N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is QVFYXBLDZIDUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-18(2,3)16(26)23-15-5-4-14(12-20-15)24-6-8-25(9-7-24)17-21-10-13(19)11-22-17/h4-5,10-12H,6-9H2,1-3H3,(H,20,23,26).
What are the key properties of N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 374.88 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).