(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

C23H32N4O2 — CID 25396972

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O2/c1-17(29-20-9-6-18(7-10-20)23(2,3)4)22(28)25-19-8-11-21(24-16-19)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15H2,1-5H3,(H,25,28)/t17-/m0/s1
InChIKeyFGADEGOURGBPEL-KRWDZBQOSA-N
MW396.54 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 25396972) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
PubChem CID25396972
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O2/c1-17(29-20-9-6-18(7-10-20)23(2,3)4)22(28)25-19-8-11-21(24-16-19)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15H2,1-5H3,(H,25,28)/t17-/m0/s1
InChIKeyFGADEGOURGBPEL-KRWDZBQOSA-N
XLogP3.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2S)-2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712950
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (CID 25396972) is (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The InChIKey is FGADEGOURGBPEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(29-20-9-6-18(7-10-20)23(2,3)4)22(28)25-19-8-11-21(24-16-19)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15H2,1-5H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 25396972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).