2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide

C24H34N4O — CID 58006606

IUPAC2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
SMILESCC(C)N1CCN(c2ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C24H34N4O/c1-18(2)27-12-14-28(15-13-27)22-11-10-21(17-25-22)20-8-6-19(7-9-20)16-26-23(29)24(3,4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,29)
InChIKeyVPZBQVHGUARJQA-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.94
Rot. Bonds5

About 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide

2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide (PubChem CID 58006606) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
PubChem CID58006606
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
SMILESCC(C)N1CCN(c2ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C24H34N4O/c1-18(2)27-12-14-28(15-13-27)22-11-10-21(17-25-22)20-8-6-19(7-9-20)16-26-23(29)24(3,4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,29)
InChIKeyVPZBQVHGUARJQA-UHFFFAOYSA-N
XLogP3.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
1-[5-[5-[4-(chloromethyl)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 141323468
N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
CID 67996999
N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
CID 58006589
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
tert-butyl 4-[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 90809141
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide (CID 58006606) is 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide is CC(C)N1CCN(c2ccc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cn2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide?
The InChIKey is VPZBQVHGUARJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-18(2)27-12-14-28(15-13-27)22-11-10-21(17-25-22)20-8-6-19(7-9-20)16-26-23(29)24(3,4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,29).
What are the key properties of 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide?
2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide has a molecular weight of 394.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide is sourced from PubChem (CID 58006606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).