2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid

C24H35N7O3 — CID 140529582

IUPAC2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
SMILESCN1CCN(c2cncc(CC(=O)O)c2)CC1.CN1CCN(c2cncc(CC(N)=O)c2)CC1
InChIInChI=1S/C12H18N4O.C12H17N3O2/c1-15-2-4-16(5-3-15)11-6-10(7-12(13)17)8-14-9-11;1-14-2-4-15(5-3-14)11-6-10(7-12(16)17)8-13-9-11/h6,8-9H,2-5,7H2,1H3,(H2,13,17);6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyZNKSVBIGAOJNSR-UHFFFAOYSA-N
MW469.59 g/mol
LogP0.32
Rot. Bonds6

About 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid

2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid (PubChem CID 140529582) has the molecular formula C24H35N7O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
PubChem CID140529582
Molecular FormulaC24H35N7O3
Molecular Weight469.59 g/mol
Exact Mass469.28
IUPAC Name2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
SMILESCN1CCN(c2cncc(CC(=O)O)c2)CC1.CN1CCN(c2cncc(CC(N)=O)c2)CC1
InChIInChI=1S/C12H18N4O.C12H17N3O2/c1-15-2-4-16(5-3-15)11-6-10(7-12(13)17)8-14-9-11;1-14-2-4-15(5-3-14)11-6-10(7-12(16)17)8-13-9-11/h6,8-9H,2-5,7H2,1H3,(H2,13,17);6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyZNKSVBIGAOJNSR-UHFFFAOYSA-N
XLogP0.32
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetate
CID 66869311
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid
CID 123748317
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
tert-butyl 4-amino-2,3-bis[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-oxobutanoate
CID 66869312
1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine
CID 91063273
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid (CID 140529582) is 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid is CN1CCN(c2cncc(CC(=O)O)c2)CC1.CN1CCN(c2cncc(CC(N)=O)c2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid?
The InChIKey is ZNKSVBIGAOJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.C12H17N3O2/c1-15-2-4-16(5-3-15)11-6-10(7-12(13)17)8-14-9-11;1-14-2-4-15(5-3-14)11-6-10(7-12(16)17)8-13-9-11/h6,8-9H,2-5,7H2,1H3,(H2,13,17);6,8-9H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid?
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid has a molecular weight of 469.59 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 140529582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).